 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer01_STD_B3LYPDBJ_augccpVDZ.in
 Output=21_phenylethanol_conformer01_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-53068.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     53070.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer01_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:41:49 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.166220000000     -0.541659000000      1.195302000000
  C                                                 1.646020000000     -0.400115000000     -0.135719000000
  H                                                 1.838555000000      0.193959000000      1.725431000000
  H                                                 1.824407000000     -1.375317000000     -0.592567000000
  C                                                 2.427578000000      0.650046000000     -0.915467000000
  C                                                 0.150400000000     -0.165668000000     -0.105785000000
  H                                                 2.328899000000      1.638727000000     -0.463185000000
  H                                                 2.074000000000      0.712216000000     -1.946429000000
  H                                                 3.485412000000      0.387513000000     -0.919933000000
  C                                                -0.725222000000     -1.234479000000     -0.286837000000
  C                                                -2.100455000000     -1.052102000000     -0.214220000000
  C                                                -2.622082000000      0.208958000000      0.048005000000
  C                                                -1.759833000000      1.283245000000      0.232897000000
  C                                                -0.385458000000      1.096625000000      0.152590000000
  H                                                -0.321703000000     -2.220444000000     -0.483457000000
  H                                                -2.764487000000     -1.894375000000     -0.360877000000
  H                                                -3.693001000000      0.354600000000      0.105456000000
  H                                                -2.158100000000      2.269728000000      0.433453000000
  H                                                 0.270579000000      1.947610000000      0.286902000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:41:49 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.436057   0.000000
     3  H    0.964124   1.963128   0.000000
     4  H    2.002073   1.091582   2.799275   0.000000
     5  C    2.437994   1.523705   2.743958   2.137797   0.000000
     6  C    2.428524   1.514180   2.516456   2.121911   2.550787
     7  H    2.744290   2.174956   2.667926   3.058711   1.091690
     8  H    3.383959   2.167745   3.715721   2.500607   1.091680
     9  H    2.660422   2.149119   3.122107   2.444110   1.089934
    10  C    3.322224   2.518291   3.558456   2.571753   3.726494
    11  C    4.522369   3.803594   4.564068   3.956281   4.887958
    12  C    4.980718   4.315254   4.765634   4.763562   5.159642
    13  C    4.435131   3.816990   4.045071   4.538295   4.387948
    14  C    3.206600   2.539735   2.869646   3.398420   3.041932
    15  H    3.438940   2.703045   3.921128   2.309098   3.998111
    16  H    5.344474   4.662197   5.468255   4.623965   5.808544
    17  H    6.026733   5.397491   5.766128   5.824229   6.212170
    18  H    5.213833   4.682237   4.685219   5.495401   5.046920
    19  H    3.258083   2.753590   2.757391   3.772226   2.789625
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.851216   0.000000
     8  H    2.803371   1.767317   0.000000
     9  H    3.477233   1.763995   1.775165   0.000000
    10  C    1.393503   4.196912   3.792033   4.556436   0.000000
    11  C    2.421543   5.188615   4.851746   5.811405   1.389173
    12  C    2.801902   5.178587   5.126814   6.186297   2.407012
    13  C    2.421372   4.162767   4.446775   5.444626   2.771187
    14  C    1.395452   2.835628   3.256161   4.078821   2.396368
    15  H    2.141873   4.681805   4.059578   4.635308   1.083335
    16  H    3.398539   6.199666   5.720074   6.676885   2.144655
    17  H    3.884203   6.183495   6.131592   7.251353   3.389215
    18  H    3.398691   4.619013   5.099054   6.101116   3.853754
    19  H    2.152810   2.212402   3.125107   3.771671   3.383266
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389651   0.000000
    13  C    2.402037   1.389874   0.000000
    14  C    2.773588   2.408605   1.389310   0.000000
    15  H    2.145104   3.387653   3.854506   3.378101   0.000000
    16  H    1.082530   2.147434   3.385139   3.856100   2.467497
    17  H    2.148768   1.082303   2.148432   3.390083   4.282910
    18  H    3.384872   2.147236   1.082584   2.144135   4.937076
    19  H    3.856319   3.383411   2.137024   1.082866   4.279828
                   16         17         18         19
    16  H    0.000000
    17  H    2.477396   0.000000
    18  H    4.282338   2.476130   0.000000
    19  H    4.938835   4.275578   2.454327   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.42D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4676766           1.1011704           0.9798041
 Leave Link  202 at Thu Aug 12 19:41:49 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       424.8829512949 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0325297302 Hartrees.
 Nuclear repulsion after empirical dispersion term =      424.8504215648 Hartrees.
 Leave Link  301 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:              10.5 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.72D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:41:52 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -386.168471557988    
 DIIS: error= 2.03D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -386.168471557988     IErMin= 1 ErrMin= 2.03D-03
 ErrMax= 2.03D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.70D-03 BMatP= 4.70D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 2.03D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.235 Goal=   None    Shift=    0.000
 GapD=    0.235 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.18D-02 MaxDP=4.00D+00              OVMax= 2.16D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.70D-02    CP:  1.84D+00
 E= -386.172908784234     Delta-E=       -0.004437226246 Rises=F Damp=F
 DIIS: error= 2.70D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -386.172908784234     IErMin= 2 ErrMin= 2.70D-04
 ErrMax= 2.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.19D-05 BMatP= 4.70D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.70D-03
 Coeff-Com:  0.724D-02 0.993D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.722D-02 0.993D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=2.60D-03 MaxDP=1.46D-01 DE=-4.44D-03 OVMax= 4.58D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.35D-04    CP:  1.87D+00  1.04D+00
 E= -386.172854392492     Delta-E=        0.000054391742 Rises=F Damp=F
 DIIS: error= 3.73D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -386.172908784234     IErMin= 2 ErrMin= 2.70D-04
 ErrMax= 3.73D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-04 BMatP= 7.19D-05
 IDIUse=3 WtCom= 3.41D-01 WtEn= 6.59D-01
 Coeff-Com: -0.822D-02 0.603D+00 0.405D+00
 Coeff-En:   0.000D+00 0.633D+00 0.367D+00
 Coeff:     -0.280D-02 0.623D+00 0.380D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=2.03D-04 MaxDP=9.88D-03 DE= 5.44D-05 OVMax= 2.79D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.26D-04    CP:  1.87D+00  1.04D+00  8.80D-01
 E= -386.172979734227     Delta-E=       -0.000125341735 Rises=F Damp=F
 DIIS: error= 3.38D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -386.172979734227     IErMin= 4 ErrMin= 3.38D-05
 ErrMax= 3.38D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.42D-07 BMatP= 7.19D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.450D-02 0.147D+00 0.108D+00 0.749D+00
 Coeff:     -0.450D-02 0.147D+00 0.108D+00 0.749D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=1.06D-04 MaxDP=3.97D-03 DE=-1.25D-04 OVMax= 3.81D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.75D-05    CP:  1.87D+00  1.04D+00  8.67D-01  1.16D+00
 E= -386.172980317192     Delta-E=       -0.000000582964 Rises=F Damp=F
 DIIS: error= 2.07D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -386.172980317192     IErMin= 5 ErrMin= 2.07D-05
 ErrMax= 2.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.61D-07 BMatP= 9.42D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.143D-02 0.264D-01 0.257D-01 0.396D+00 0.553D+00
 Coeff:     -0.143D-02 0.264D-01 0.257D-01 0.396D+00 0.553D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=1.56D-05 MaxDP=5.91D-04 DE=-5.83D-07 OVMax= 2.77D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.08D-05    CP:  1.87D+00  1.04D+00  8.75D-01  1.14D+00  8.24D-01
 E= -386.172980690825     Delta-E=       -0.000000373634 Rises=F Damp=F
 DIIS: error= 8.36D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -386.172980690825     IErMin= 6 ErrMin= 8.36D-06
 ErrMax= 8.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.85D-08 BMatP= 3.61D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.420D-03 0.266D-02 0.638D-02 0.161D+00 0.312D+00 0.518D+00
 Coeff:     -0.420D-03 0.266D-02 0.638D-02 0.161D+00 0.312D+00 0.518D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=4.29D-06 MaxDP=1.52D-04 DE=-3.74D-07 OVMax= 1.09D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.38D-06    CP:  1.87D+00  1.04D+00  8.77D-01  1.13D+00  8.58D-01
                    CP:  9.26D-01
 E= -386.172980730290     Delta-E=       -0.000000039465 Rises=F Damp=F
 DIIS: error= 2.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -386.172980730290     IErMin= 7 ErrMin= 2.30D-06
 ErrMax= 2.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.55D-09 BMatP= 3.85D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.723D-04-0.211D-02 0.529D-03 0.379D-01 0.108D+00 0.310D+00
 Coeff-Com:  0.545D+00
 Coeff:     -0.723D-04-0.211D-02 0.529D-03 0.379D-01 0.108D+00 0.310D+00
 Coeff:      0.545D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=1.60D-06 MaxDP=6.08D-05 DE=-3.95D-08 OVMax= 2.67D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.01D-06    CP:  1.87D+00  1.04D+00  8.77D-01  1.14D+00  8.60D-01
                    CP:  9.48D-01  7.79D-01
 E= -386.172980735908     Delta-E=       -0.000000005618 Rises=F Damp=F
 DIIS: error= 4.57D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -386.172980735908     IErMin= 8 ErrMin= 4.57D-07
 ErrMax= 4.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-10 BMatP= 5.55D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.130D-04-0.972D-03-0.202D-03 0.106D-02 0.174D-01 0.746D-01
 Coeff-Com:  0.193D+00 0.715D+00
 Coeff:      0.130D-04-0.972D-03-0.202D-03 0.106D-02 0.174D-01 0.746D-01
 Coeff:      0.193D+00 0.715D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=6.34D-07 MaxDP=3.15D-05 DE=-5.62D-09 OVMax= 4.70D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.89D-07    CP:  1.87D+00  1.04D+00  8.77D-01  1.14D+00  8.62D-01
                    CP:  9.56D-01  7.79D-01  9.10D-01
 E= -386.172980736023     Delta-E=       -0.000000000115 Rises=F Damp=F
 DIIS: error= 1.85D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -386.172980736023     IErMin= 9 ErrMin= 1.85D-07
 ErrMax= 1.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-11 BMatP= 1.42D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.112D-04-0.412D-03-0.133D-03-0.167D-02 0.357D-02 0.226D-01
 Coeff-Com:  0.713D-01 0.394D+00 0.511D+00
 Coeff:      0.112D-04-0.412D-03-0.133D-03-0.167D-02 0.357D-02 0.226D-01
 Coeff:      0.713D-01 0.394D+00 0.511D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=1.40D-07 MaxDP=5.82D-06 DE=-1.15D-10 OVMax= 2.31D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.09D-07    CP:  1.87D+00  1.04D+00  8.77D-01  1.14D+00  8.62D-01
                    CP:  9.55D-01  7.81D-01  9.47D-01  8.94D-01
 E= -386.172980736052     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 4.60D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -386.172980736052     IErMin=10 ErrMin= 4.60D-08
 ErrMax= 4.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-12 BMatP= 3.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.448D-05-0.127D-03-0.478D-04-0.104D-02 0.325D-03 0.520D-02
 Coeff-Com:  0.199D-01 0.145D+00 0.272D+00 0.559D+00
 Coeff:      0.448D-05-0.127D-03-0.478D-04-0.104D-02 0.325D-03 0.520D-02
 Coeff:      0.199D-01 0.145D+00 0.272D+00 0.559D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=5.26D-08 MaxDP=2.09D-06 DE=-2.91D-11 OVMax= 8.56D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.28D-08    CP:  1.87D+00  1.04D+00  8.77D-01  1.14D+00  8.62D-01
                    CP:  9.56D-01  7.84D-01  9.49D-01  9.11D-01  7.92D-01
 E= -386.172980736041     Delta-E=        0.000000000011 Rises=F Damp=F
 DIIS: error= 1.96D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -386.172980736052     IErMin=11 ErrMin= 1.96D-08
 ErrMax= 1.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.62D-13 BMatP= 2.42D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D-05-0.180D-04-0.748D-05-0.355D-03-0.226D-03 0.138D-03
 Coeff-Com:  0.199D-02 0.291D-01 0.858D-01 0.323D+00 0.561D+00
 Coeff:      0.100D-05-0.180D-04-0.748D-05-0.355D-03-0.226D-03 0.138D-03
 Coeff:      0.199D-02 0.291D-01 0.858D-01 0.323D+00 0.561D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=1.48D-08 MaxDP=6.37D-07 DE= 1.09D-11 OVMax= 3.04D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.51D-09    CP:  1.87D+00  1.04D+00  8.77D-01  1.14D+00  8.62D-01
                    CP:  9.56D-01  7.84D-01  9.51D-01  9.13D-01  8.12D-01
                    CP:  7.32D-01
 E= -386.172980736042     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 4.68D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -386.172980736052     IErMin=12 ErrMin= 4.68D-09
 ErrMax= 4.68D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-14 BMatP= 3.62D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.684D-07 0.392D-05 0.786D-06-0.683D-04-0.162D-03-0.502D-03
 Coeff-Com: -0.123D-02-0.228D-02 0.113D-01 0.101D+00 0.290D+00 0.602D+00
 Coeff:      0.684D-07 0.392D-05 0.786D-06-0.683D-04-0.162D-03-0.502D-03
 Coeff:     -0.123D-02-0.228D-02 0.113D-01 0.101D+00 0.290D+00 0.602D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=4.27D-09 MaxDP=1.71D-07 DE=-9.09D-13 OVMax= 6.13D-08

 SCF Done:  E(RB3LYP) =  -386.172980736     A.U. after   12 cycles
            NFock= 12  Conv=0.43D-08     -V/T= 2.0060
 KE= 3.838823698827D+02 PE=-1.747380481494D+03 EE= 5.524747093106D+02
 Leave Link  502 at Thu Aug 12 19:43:10 2021, MaxMem=  5368709120 cpu:             620.3 elap:              77.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.15225294D+03

 Leave Link  801 at Thu Aug 12 19:43:10 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 4.31D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 4.30D-01 1.37D-01.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 5.73D-02 4.79D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 4.19D-03 1.53D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 4.55D-04 7.00D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 1.10D-05 5.94D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 1.82D-07 7.67D-05.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 2.14D-09 7.68D-06.
     10 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 3.78D-11 9.72D-07.
      8 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 3.78D-13 1.06D-07.
      1 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 5.90D-15 1.72D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.132934D+03
      2  0.104697D+01  0.106272D+03
      3 -0.135833D+01  0.561285D+01  0.754709D+02
 Isotropic polarizability for W=    0.085645      104.89 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.945336D+02 -0.373209D+01  0.750491D+01
      2   0.320400D+02  0.105146D+02  0.709830D+01
      3   0.624936D+02 -0.678248D+01 -0.146032D+02
      4   0.165084D+02 -0.844585D+02 -0.274706D+02
      5  -0.173250D+02 -0.279941D+02  0.234876D+02
      6  -0.114777D+02 -0.154326D+02  0.104237D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.367462D+00 -0.826713D+01 -0.240363D+01
      2   0.120650D+02 -0.108930D+02  0.730376D+01
      3   0.123649D+01  0.425923D+02  0.102816D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.523543D+00 -0.225309D+02 -0.172061D+02
      2   0.248299D+02 -0.159929D+02 -0.390060D+02
      3   0.202405D+02  0.116499D+03  0.165164D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.436559D+00 -0.662099D+00  0.671082D+00
      2  -0.662099D+00  0.132631D+01 -0.278746D+01
      3   0.671082D+00 -0.278746D+01 -0.113364D+01
 OR G Eigenvalues:    -2.9673    -0.6432     3.3666  Iso=     0.0813
 Eigenvectors:
   (1)  -0.083602   0.533518   0.841646
   (2)   0.968209   0.243312  -0.058062
   (3)  -0.235760   0.810035  -0.536899
 w=    0.085645 a.u., Optical Rotation Beta=      0.0813 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       31.56 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 1.80D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.79D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.79D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 2.23D-02 3.72D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 8.68D-04 3.57D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.55D-05 4.63D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 1.09D-07 3.38D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 3.23D-10 1.46D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 7.93D-13 8.43D-08.
      3 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 1.02D-14 1.55D-08.
      1 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 8.11D-16 3.04D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.11D-15
 Solved reduced A of dimension   214 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 4.45D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 4.45D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.53D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132934D+03  0.104697D+01 -0.135833D+01
      2   0.104697D+01  0.106272D+03  0.561285D+01
      3  -0.135833D+01  0.561285D+01  0.754709D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.367462D+00 -0.826713D+01 -0.240363D+01
      2   0.120650D+02 -0.108930D+02  0.730376D+01
      3   0.123649D+01  0.425923D+02  0.102816D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.945336D+02 -0.373209D+01  0.750491D+01
      2   0.320400D+02  0.105146D+02  0.709830D+01
      3   0.624936D+02 -0.678248D+01 -0.146032D+02
      4   0.165084D+02 -0.844585D+02 -0.274706D+02
      5  -0.173250D+02 -0.279941D+02  0.234876D+02
      6  -0.114777D+02 -0.154326D+02  0.104237D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.530615D+01 -0.100623D+01  0.235704D+01 -0.283154D+01  0.207424D+01
      2  -0.100623D+01  0.664828D+00 -0.488521D+00  0.207424D+01 -0.305985D+01
      3   0.235704D+01 -0.488521D+00  0.279524D+01 -0.138564D+01 -0.588858D-01
                 6             7             8             9            10 
      1  -0.138564D+01  0.603611D+01 -0.122034D+01  0.417659D+01 -0.419896D+01
      2  -0.588858D-01 -0.122034D+01 -0.154814D+01 -0.318564D+01  0.114256D-01
      3  -0.332430D+01  0.417659D+01 -0.318564D+01  0.257549D+01 -0.653911D+00
                11            12            13            14            15 
      1   0.114256D-01 -0.653911D+00 -0.105888D+01 -0.259497D+01  0.222739D+01
      2  -0.659585D+00  0.180242D+01 -0.259497D+01  0.397190D+01  0.349270D+01
      3   0.180242D+01 -0.275217D+01  0.222739D+01  0.349270D+01 -0.825270D-01
                16            17            18            19            20 
      1  -0.510579D+01  0.243986D+01 -0.578877D+01 -0.522488D+00  0.399820D+00
      2   0.243986D+01  0.389051D+01  0.184168D+01  0.399820D+00 -0.405493D+00
      3  -0.578877D+01  0.184168D+01 -0.179624D+01  0.777367D-01 -0.404972D+00
                21            22            23            24            25 
      1   0.777367D-01  0.230647D+01 -0.233665D-01  0.439713D+00  0.195171D+01
      2  -0.404972D+00 -0.233665D-01  0.214443D+01  0.184769D+01 -0.196449D+00
      3  -0.131705D+01  0.439713D+00  0.184769D+01  0.322746D+01  0.535287D+00
                26            27            28            29            30 
      1  -0.196449D+00  0.535287D+00  0.319196D+00 -0.115871D+01 -0.738009D+00
      2   0.192587D+01  0.128381D+01 -0.115871D+01  0.123605D+01  0.192696D+00
      3   0.128381D+01  0.451820D+01 -0.738009D+00  0.192696D+00  0.767040D+00
                31            32            33            34            35 
      1  -0.253098D+01  0.196383D+01  0.390536D+00 -0.981463D+00  0.429243D+00
      2   0.196383D+01 -0.618745D+01 -0.193113D+01  0.429243D+00 -0.232980D+01
      3   0.390536D+00 -0.193113D+01 -0.181476D+01  0.114815D+01 -0.171557D+01
                36            37            38            39            40 
      1   0.114815D+01 -0.911591D+01  0.214444D+01  0.914743D-01  0.517531D+01
      2  -0.171557D+01  0.214444D+01  0.140670D+01 -0.136855D+01  0.153446D+01
      3  -0.146878D+01  0.914743D-01 -0.136855D+01  0.347139D+01 -0.171999D+01
                41            42            43            44            45 
      1   0.153446D+01 -0.171999D+01 -0.162755D+01 -0.167377D+01  0.275798D+01
      2  -0.332176D+01 -0.313855D+01 -0.167377D+01 -0.307655D+01 -0.845736D+00
      3  -0.313855D+01  0.678543D-01  0.275798D+01 -0.845736D+00  0.523403D+01
                46            47            48            49            50 
      1   0.184462D+02 -0.207603D+01  0.129404D+01 -0.325338D+01 -0.137666D+01
      2  -0.207603D+01  0.259003D+01 -0.517129D-01 -0.137666D+01 -0.676194D+00
      3   0.129404D+01 -0.517129D-01  0.245451D+01 -0.188701D+01 -0.442168D+00
                51            52            53            54            55 
      1  -0.188701D+01 -0.536982D+00 -0.110273D+01  0.403230D+01  0.518989D+00
      2  -0.442168D+00 -0.110273D+01 -0.195360D+00 -0.502883D+00  0.482944D+00
      3  -0.131215D+00  0.403230D+01 -0.502883D+00 -0.307086D+00  0.494044D+00
                56            57            58            59            60 
      1   0.482944D+00  0.494044D+00  0.190218D+01  0.863790D+00 -0.151118D+00
      2  -0.649789D-01  0.258430D+00  0.863790D+00  0.623029D+01  0.106239D+01
      3   0.258430D+00 -0.395620D+00 -0.151118D+00  0.106239D+01  0.172464D+01
                61            62            63            64            65 
      1   0.136833D+01  0.582051D+00 -0.171722D+00  0.200180D+00 -0.854984D-01
      2   0.582051D+00  0.213690D+01  0.126079D+01 -0.854984D-01 -0.507291D+00
      3  -0.171722D+00  0.126079D+01  0.574975D+00 -0.932758D+00  0.427967D+00
                66            67            68            69            70 
      1  -0.932758D+00 -0.480891D+00 -0.368237D-01  0.133342D+00 -0.170218D+01
      2   0.427967D+00 -0.368237D-01  0.720435D+00 -0.926602D+00 -0.202423D+00
      3  -0.215881D+01  0.133342D+00 -0.926602D+00  0.485010D+00  0.120166D+00
                71            72            73            74            75 
      1  -0.202423D+00  0.120166D+00  0.136576D+02 -0.451159D+00 -0.163505D+01
      2  -0.122486D+01  0.134067D+01 -0.451159D+00  0.105125D+01 -0.346022D-01
      3   0.134067D+01 -0.905752D+01 -0.163505D+01 -0.346022D-01  0.120482D+01
                76            77            78            79            80 
      1  -0.270398D+01  0.105941D+01  0.597776D+00 -0.308726D-01  0.174101D+00
      2   0.105941D+01 -0.268168D+00  0.156334D+00  0.174101D+00  0.340715D+00
      3   0.597776D+00  0.156334D+00 -0.533116D+00  0.112697D+01  0.369060D-01
                81            82            83            84            85 
      1   0.112697D+01 -0.591774D+01  0.298211D+01 -0.197624D-01 -0.706131D+01
      2   0.369060D-01  0.298211D+01  0.300179D+01  0.306382D+00  0.262671D+00
      3  -0.784042D+00 -0.197624D-01  0.306382D+00  0.141658D+01 -0.411804D+00
                86            87            88            89            90 
      1   0.262671D+00 -0.411804D+00 -0.123507D+01 -0.617515D+00  0.109337D+01
      2  -0.172573D+01  0.817109D+00 -0.617515D+00  0.107256D+01 -0.374816D+01
      3   0.817109D+00 -0.205441D+01  0.109337D+01 -0.374816D+01 -0.240496D+01
                91            92            93            94            95 
      1   0.300399D+01 -0.664060D+00  0.200411D+00 -0.653370D+01  0.793780D+00
      2  -0.664060D+00 -0.364761D+01 -0.804994D+00  0.793780D+00 -0.549279D+00
      3   0.200411D+00 -0.804994D+00 -0.191617D+01  0.493745D+00  0.128243D+01
                96            97            98            99           100 
      1   0.493745D+00 -0.141181D+01  0.641223D+00 -0.311409D+01 -0.638990D+01
      2   0.128243D+01  0.641223D+00  0.155176D+01 -0.340383D+01  0.280708D+00
      3  -0.215499D+01 -0.311409D+01 -0.340383D+01 -0.164104D+01 -0.291905D+00
               101           102           103           104           105 
      1   0.280708D+00 -0.291905D+00  0.111458D+01  0.100345D+01  0.162344D+01
      2  -0.360042D+01 -0.291720D-01  0.100345D+01 -0.189541D+00 -0.583351D+00
      3  -0.291720D-01 -0.339750D+01  0.162344D+01 -0.583351D+00  0.302835D+00
               106           107           108           109           110 
      1   0.185814D+00  0.132666D+01 -0.556832D+01  0.491231D+01 -0.974925D+00
      2   0.132666D+01 -0.163627D+00  0.525202D+00 -0.974925D+00 -0.252752D+01
      3  -0.556832D+01  0.525202D+00  0.594925D+00 -0.171918D+00  0.378485D-02
               111           112           113           114           115 
      1  -0.171918D+00  0.566578D+01 -0.401703D+00  0.302141D+00  0.124375D+01
      2   0.378485D-02 -0.401703D+00  0.140612D+01 -0.105309D+01  0.460568D+00
      3  -0.103668D+01  0.302141D+00 -0.105309D+01  0.245267D+01 -0.183746D+01
               116           117           118           119           120 
      1   0.460568D+00 -0.183746D+01 -0.473148D+01 -0.477703D+00 -0.241919D+00
      2  -0.120005D+01  0.399467D+01 -0.477703D+00  0.409240D+01  0.587398D+00
      3   0.399467D+01  0.254819D+01 -0.241919D+00  0.587398D+00  0.212160D+01
               121           122           123           124           125 
      1   0.932145D+01  0.580297D-01  0.455517D+00  0.197678D+01 -0.800324D-02
      2   0.580297D-01  0.132337D+01 -0.583192D+00 -0.800324D-02 -0.123239D+01
      3   0.455517D+00 -0.583192D+00  0.177536D+01  0.197333D+01  0.319680D+01
               126           127           128           129           130 
      1   0.197333D+01  0.153175D+01 -0.181783D+01 -0.394114D+00 -0.151528D+01
      2   0.319680D+01 -0.181783D+01  0.230530D+01  0.464206D+00  0.206940D+01
      3   0.145560D+01 -0.394114D+00  0.464206D+00  0.244032D+00  0.461348D+00
               131           132           133           134           135 
      1   0.206940D+01  0.461348D+00 -0.400198D+00  0.495979D+00  0.536338D-03
      2  -0.883139D+01 -0.156652D+01  0.495979D+00 -0.164305D+01 -0.398431D+00
      3  -0.156652D+01 -0.106861D+01  0.536338D-03 -0.398431D+00 -0.187065D+00
               136           137           138           139           140 
      1  -0.511626D+01 -0.399008D+01 -0.660409D+00 -0.385551D+01 -0.460376D+01
      2  -0.399008D+01 -0.364563D+01 -0.509884D+00 -0.460376D+01 -0.668637D+01
      3  -0.660409D+00 -0.509884D+00 -0.572251D+00 -0.805947D+00 -0.105458D+01
               141           142           143           144           145 
      1  -0.805947D+00 -0.644375D+00 -0.747079D+00 -0.178432D+00 -0.133201D+02
      2  -0.105458D+01 -0.747079D+00 -0.124254D+01 -0.191186D+00  0.137501D+01
      3  -0.813137D+00 -0.178432D+00 -0.191186D+00 -0.146845D+00  0.613129D+00
               146           147           148           149           150 
      1   0.137501D+01  0.613129D+00  0.139573D+01 -0.171038D+01 -0.384569D+00
      2  -0.853251D+00 -0.512012D-01 -0.171038D+01  0.473088D+00  0.102837D+00
      3  -0.512012D-01 -0.781255D+00 -0.384569D+00  0.102837D+00  0.126963D+00
               151           152           153           154           155 
      1   0.494789D+00 -0.389992D+00 -0.866679D-02 -0.227215D+01  0.264781D+01
      2  -0.389992D+00  0.919835D-01  0.231189D-01  0.264781D+01 -0.285585D+01
      3  -0.866679D-02  0.231189D-01  0.861224D-01  0.577022D+00 -0.553904D+00
               156           157           158           159           160 
      1   0.577022D+00  0.230774D+01 -0.387260D+01 -0.802374D+00  0.512556D+00
      2  -0.553904D+00 -0.387260D+01  0.950953D+01  0.179981D+01 -0.806464D+00
      3  -0.411236D+00 -0.802374D+00  0.179981D+01  0.109092D+01 -0.165020D+00
               161           162           163           164           165 
      1  -0.806464D+00 -0.165020D+00  0.368867D+01  0.237797D+01  0.348641D-01
      2   0.189080D+01  0.325751D+00  0.237797D+01  0.241929D+01  0.254226D+00
      3   0.325751D+00  0.178855D+00  0.348641D-01  0.254226D+00  0.263544D+00
               166           167           168           169           170 
      1   0.263622D+01  0.293720D+01  0.423502D+00 -0.935240D-01  0.415083D+00
      2   0.293720D+01  0.571657D+01  0.776777D+00  0.415083D+00  0.955286D+00
      3   0.423502D+00  0.776777D+00  0.723351D+00 -0.132193D+00  0.162051D+00
               171 
      1  -0.132193D+00
      2   0.162051D+00
      3   0.271753D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.721497D+00  0.419751D+01  0.128638D+01  0.858009D+00 -0.600573D+01
      2   0.160848D+01  0.472142D+00  0.136252D+02  0.315364D+01 -0.264429D+01
      3  -0.101052D+01 -0.891264D+01 -0.146324D+01 -0.452132D+01  0.656151D+01
                 6             7             8             9            10 
      1  -0.822723D+01  0.288166D+01  0.131111D+00 -0.231976D+00 -0.660741D-01
      2  -0.773528D+01  0.743983D+01 -0.827301D+01  0.450659D+01 -0.559086D+00
      3   0.215167D+01 -0.366824D+01  0.342370D+01  0.567461D+01  0.550251D+01
                11            12            13            14            15 
      1   0.545576D+00  0.231694D+00  0.105903D+01  0.129596D+01 -0.318338D+01
      2   0.155320D+01 -0.515321D+01  0.165888D+01  0.651861D+01  0.820928D+00
      3   0.394939D+01 -0.945109D+00  0.135694D+02 -0.769870D+01 -0.896601D+01
                16            17            18            19            20 
      1  -0.219633D+01  0.489460D+00 -0.117940D+01  0.241849D+01 -0.207476D+01
      2  -0.165423D+02  0.557029D+01 -0.534134D+01  0.446076D+01 -0.207005D+01
      3   0.160167D-01 -0.114302D+02 -0.170265D+01 -0.272219D+01  0.236082D+01
                21            22            23            24            25 
      1  -0.814892D+00 -0.160171D+01  0.624117D+01  0.377960D+01 -0.475625D+00
      2  -0.318841D+01 -0.346665D+01  0.512219D+01  0.771764D+01 -0.176868D+01
      3   0.980388D+00  0.388331D+01 -0.487962D+01 -0.481536D+01  0.278149D+00
                26            27            28            29            30 
      1   0.482502D+01  0.477067D+01 -0.298130D-02 -0.622082D+00  0.733041D+00
      2   0.366611D+01  0.961421D+01 -0.174961D+01  0.349399D+00  0.216723D+01
      3  -0.352329D+01 -0.407206D+01  0.332601D+01 -0.337314D+01 -0.183907D+00
                31            32            33            34            35 
      1  -0.783722D-01  0.137262D+01 -0.284848D+01  0.838114D+00  0.129978D+01
      2  -0.422475D+00 -0.359696D+01 -0.400806D+01  0.122262D+00 -0.312848D+01
      3   0.137060D+01  0.125131D+02  0.409268D+01  0.866444D+00  0.532010D+01
                36            37            38            39            40 
      1  -0.743994D+00 -0.255581D+01 -0.184037D+01 -0.149198D+01  0.654665D-01
      2  -0.226565D+01 -0.788971D+01 -0.109788D+01  0.122333D+02 -0.446729D+00
      3   0.297359D+01 -0.151977D+02 -0.707879D+01  0.429979D+01 -0.936388D+00
                41            42            43            44            45 
      1   0.604218D+01  0.188708D+01  0.805043D+00  0.661076D+01 -0.533389D+01
      2  -0.699343D+01 -0.243528D+01  0.290260D+01 -0.442048D+01  0.187765D+02
      3   0.127742D+02  0.904790D+01  0.350871D+01  0.924358D+01  0.411089D+01
                46            47            48            49            50 
      1   0.725270D+00  0.238840D+00  0.464921D+00  0.968136D+00 -0.224552D+01
      2   0.259231D+01 -0.150485D+01 -0.680027D+00 -0.109399D+01 -0.835501D+00
      3  -0.180247D+01  0.541773D+01  0.935906D+00  0.178674D+02 -0.189930D+01
                51            52            53            54            55 
      1   0.156499D+01  0.109930D+01  0.106202D+02  0.198231D+01 -0.145784D+01
      2   0.356015D+00 -0.171728D+02 -0.217799D+00 -0.122220D+01  0.159487D+01
      3   0.262536D+01  0.109663D+00  0.909233D+00 -0.708043D+00 -0.368176D+01
                56            57            58            59            60 
      1  -0.175444D-01  0.387070D+00  0.136207D+00 -0.804671D+01 -0.550656D+01
      2   0.833753D+00 -0.401197D+00  0.388507D+00  0.384258D+01  0.466707D+01
      3   0.880953D+00  0.416696D+00  0.344490D+01 -0.182283D+02 -0.454160D+01
                61            62            63            64            65 
      1  -0.528553D-01 -0.200731D+01 -0.248153D+01  0.787799D+00  0.117905D+01
      2  -0.116921D+01  0.331734D+01  0.157597D+01 -0.377615D+01  0.656054D+00
      3   0.157913D+01 -0.671056D+01 -0.432546D+01  0.538548D-01  0.892214D+00
                66            67            68            69            70 
      1   0.136136D+01  0.524979D+00 -0.400554D+00 -0.546299D+00  0.739453D+00
      2  -0.586020D+01 -0.831172D-01 -0.212457D+01  0.159474D+01 -0.473362D+01
      3  -0.157591D+01  0.145625D+01 -0.189445D+01  0.210791D+01 -0.136983D+01
                71            72            73            74            75 
      1   0.289671D+01  0.531817D+01  0.149439D+01 -0.170781D+01 -0.592438D+00
      2   0.319822D+01 -0.232383D+02  0.815227D+01 -0.634444D+00  0.510615D+01
      3   0.283386D+01 -0.429673D+01  0.965526D+01 -0.708197D+01 -0.801494D+00
                76            77            78            79            80 
      1  -0.123560D+01  0.133483D+00 -0.782369D+00 -0.664132D+00  0.212886D+00
      2  -0.689341D+00  0.146281D+01 -0.129333D+01  0.139438D+01  0.166066D+00
      3  -0.340636D+01  0.103490D+01 -0.731911D+00 -0.856174D+00 -0.790807D+00
                81            82            83            84            85 
      1   0.166213D+00 -0.105443D+01 -0.104249D+01  0.218216D+01 -0.133363D+01
      2  -0.142359D+01 -0.322018D+01  0.142587D+01 -0.160010D+01  0.121288D+01
      3   0.313917D+00  0.483638D+01 -0.371985D+01 -0.155262D+01  0.355644D+01
                86            87            88            89            90 
      1   0.437035D+00 -0.308845D+01  0.443800D+01  0.752711D+00 -0.667154D+00
      2   0.104521D+01  0.152799D+01 -0.129301D+02  0.174461D+01  0.224347D+01
      3  -0.592668D+01 -0.881719D+00 -0.175824D+01  0.953910D-01 -0.523741D+01
                91            92            93            94            95 
      1   0.590164D-01  0.469061D+00 -0.286013D+01  0.117575D+01  0.459458D-01
      2   0.132587D+01  0.154029D+01  0.255479D+01 -0.122822D+01 -0.312113D+01
      3  -0.314002D+01 -0.108068D+02 -0.189354D+01  0.657296D+01 -0.111940D+01
                96            97            98            99           100 
      1  -0.240026D+01 -0.693483D+01  0.387437D+01  0.871197D+00  0.621768D-01
      2   0.669741D+01 -0.359609D+01  0.996476D+01  0.434396D+01 -0.112595D+01
      3   0.241831D+01  0.919383D+00  0.300723D+01 -0.436741D+01  0.271981D+01
               101           102           103           104           105 
      1   0.143392D+00  0.125025D+01 -0.149011D+00 -0.338283D+01  0.284874D+01
      2  -0.586138D+00  0.897942D+01 -0.462072D+01 -0.772292D-01 -0.158063D+01
      3  -0.726207D+01  0.401212D+00  0.128662D+02  0.176571D+01 -0.633774D+00
               106           107           108           109           110 
      1   0.234209D+01  0.113752D+02  0.288129D+01  0.930775D+00 -0.149830D+00
      2   0.807957D+01 -0.229255D+01 -0.177982D+01  0.231555D+01  0.297311D+01
      3   0.401318D+01 -0.644378D+00  0.854290D+00 -0.377443D+01 -0.138428D+02
               111           112           113           114           115 
      1   0.239738D+01 -0.967229D+00  0.617155D+00 -0.400509D+01  0.499825D+01
      2   0.456927D+00  0.142027D+01  0.319690D+01 -0.600078D+01 -0.847938D+01
      3  -0.268014D+01  0.400182D+01  0.969379D+00 -0.220885D+01 -0.219337D+00
               116           117           118           119           120 
      1   0.731094D+00 -0.127707D+01 -0.155488D+01 -0.326047D-01 -0.396467D+01
      2  -0.938128D+01 -0.412256D+01 -0.212270D+01  0.212288D+00 -0.198121D+01
      3  -0.243622D+01  0.498546D+01  0.196551D+00  0.730945D+00  0.973389D+00
               121           122           123           124           125 
      1   0.726637D+00 -0.517859D+00 -0.197840D+01 -0.727931D+01  0.299352D+01
      2   0.366530D+01 -0.951330D+00 -0.776581D+00 -0.122954D+02 -0.506657D+00
      3   0.799495D+00  0.584515D+01 -0.335702D+00 -0.187373D+01  0.215889D+00
               126           127           128           129           130 
      1  -0.114974D+00  0.377060D-01 -0.240566D+00  0.141913D+01  0.760165D-02
      2  -0.739231D+00  0.126807D+01 -0.923194D+00  0.261051D+00 -0.123314D+01
      3   0.592213D+01 -0.600547D+01  0.375243D+01  0.998318D+00  0.698509D+01
               131           132           133           134           135 
      1   0.731616D+00 -0.409388D+01 -0.454923D+00  0.221227D+01 -0.263636D+00
      2   0.189981D+01 -0.358755D+00 -0.176734D+01  0.464154D+00 -0.183174D+00
      3  -0.884600D+01 -0.202765D+01  0.124128D+01 -0.155141D+01 -0.245176D+00
               136           137           138           139           140 
      1   0.208824D+00  0.553452D+00 -0.219641D+01 -0.102384D+00  0.424991D+00
      2  -0.957043D-01  0.960307D-01  0.281136D+01  0.733275D+00  0.141935D+01
      3  -0.154960D+01 -0.501020D+01 -0.304013D+00 -0.368123D+01 -0.110965D+02
               141           142           143           144           145 
      1  -0.322693D+01  0.860965D+00  0.166300D+01 -0.386989D+00 -0.107977D+00
      2   0.325683D+01 -0.895915D+00 -0.474060D+00  0.381225D+00 -0.923842D+00
      3  -0.141038D+01 -0.755710D+00 -0.217475D+01 -0.192218D+00  0.587747D+00
               146           147           148           149           150 
      1  -0.214521D+00  0.633100D+00  0.573372D-01 -0.562453D-02 -0.480353D+00
      2  -0.209946D-01  0.590937D+01  0.145931D+01 -0.311885D+00 -0.856003D+00
      3  -0.532661D+01  0.110276D+00 -0.378247D+01  0.145214D+01  0.249102D+00
               151           152           153           154           155 
      1  -0.393076D+00  0.487772D+00 -0.568948D-02 -0.194154D+00 -0.116376D+00
      2  -0.285852D+01  0.191451D+00 -0.288463D+00 -0.322227D+00  0.443459D+00
      3  -0.154823D+01  0.529581D+00 -0.651797D-01  0.740760D+00 -0.261900D+01
               156           157           158           159           160 
      1   0.160001D+01  0.287320D+00  0.282688D+00 -0.435983D+01 -0.594317D+00
      2   0.150968D+01  0.527521D+00 -0.256857D+01 -0.298194D+01 -0.525836D+00
      3  -0.289845D+00 -0.136970D+01  0.138148D+02  0.232850D+01 -0.301476D+00
               161           162           163           164           165 
      1   0.200723D+01 -0.503629D+00  0.991198D+00  0.732075D+00 -0.202600D+01
      2   0.137194D+00 -0.480115D+00 -0.221302D+01 -0.911460D+00  0.984475D+00
      3   0.279453D+01  0.460975D+00  0.107409D+02  0.391396D+01 -0.231224D+00
               166           167           168           169           170 
      1   0.281457D+00  0.173396D+00 -0.308756D+01  0.566924D+00  0.195968D+01
      2  -0.935194D+00 -0.128258D+01  0.138803D+01 -0.166379D+01 -0.251382D+00
      3   0.778402D+01  0.538358D+01  0.851726D+00 -0.180987D+00  0.888510D+00
               171 
      1   0.516652D-02
      2   0.322341D+00
      3  -0.835132D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.206261D+02 -0.321194D+01  0.209377D+01 -0.383287D+01  0.485379D+01
      2  -0.143429D+02 -0.247751D+00 -0.729062D+01  0.132480D+01  0.423017D+01
      3  -0.628320D+01  0.345969D+01  0.519685D+01  0.250807D+01 -0.908397D+01
      4  -0.537532D+01  0.147473D+02 -0.296266D+01  0.167952D+02 -0.157869D+02
      5   0.156322D+02 -0.353514D+01  0.235549D+02 -0.896889D+01  0.251633D+01
      6  -0.450864D+01  0.535534D+01 -0.117043D+01  0.504593D+01 -0.106885D+02
                 6             7             8             9            10 
      1   0.849594D+01  0.338849D+01  0.540223D+01  0.925048D+00  0.736822D+01
      2   0.477468D+01 -0.135067D+02  0.389531D+01 -0.121435D+02 -0.302374D+01
      3  -0.132706D+02  0.101183D+02 -0.929754D+01  0.112184D+02 -0.434448D+01
      4   0.507359D+00 -0.649000D+01 -0.325123D+01 -0.147581D+02 -0.328819D+01
      5  -0.133788D+02  0.320389D+02 -0.126299D+02  0.205963D+02 -0.555005D+01
      6   0.295448D+01 -0.482256D+01  0.721285D+01 -0.138785D+02  0.473119D+01
                11            12            13            14            15 
      1  -0.307825D+01  0.728395D+00 -0.121983D+02  0.952496D-01  0.633691D+01
      2   0.112749D+01  0.134376D+01  0.890177D+01 -0.583182D+01 -0.117610D+02
      3   0.195077D+01 -0.207216D+01  0.329648D+01  0.573657D+01  0.542409D+01
      4  -0.154222D+02  0.737013D+01 -0.149042D+02  0.182200D+02  0.174389D+02
      5   0.761973D+01 -0.199847D+02  0.157963D+02  0.167836D+02 -0.129764D+01
      6   0.246868D+01  0.193182D-01  0.679072D+01 -0.509483D+01 -0.582273D+01
                16            17            18            19            20 
      1  -0.137597D+01  0.591744D+01 -0.765950D+01 -0.688803D+00  0.216075D+01
      2   0.102810D+02 -0.571149D+01  0.806700D+01  0.313472D-01  0.310227D+00
      3  -0.890503D+01 -0.205950D+00 -0.407497D+00  0.657455D+00 -0.247097D+01
      4   0.152092D+02  0.181053D+02  0.701706D+01  0.157786D+01 -0.343717D+01
      5  -0.392556D+02  0.618110D+01 -0.947103D+01  0.957421D+00 -0.490657D+00
      6   0.400735D+01 -0.118143D+02  0.623932D+01  0.147426D+01 -0.191610D+01
                21            22            23            24            25 
      1   0.600189D+01  0.483343D+01 -0.634912D+01 -0.648941D+01  0.459777D+01
      2   0.724560D+00 -0.316417D+01 -0.628888D+00 -0.415043D+01 -0.297770D+01
      3  -0.672645D+01 -0.166926D+01  0.697801D+01  0.106398D+02 -0.162007D+01
      4  -0.174663D+01 -0.873278D-01  0.907346D+01  0.774257D+01 -0.142250D+01
      5  -0.323855D+01  0.388535D+01  0.598561D+01  0.114936D+02  0.566032D+01
      6  -0.122155D+01 -0.412088D+00  0.713813D+01  0.833160D+01 -0.950616D+00
                26            27            28            29            30 
      1  -0.390976D+01 -0.939603D+01  0.289070D+01 -0.327852D+01 -0.173224D+01
      2  -0.285438D+01 -0.693689D+01  0.154908D+01  0.364743D+00  0.446851D+00
      3   0.676414D+01  0.163329D+02 -0.443979D+01  0.291378D+01  0.128539D+01
      4   0.698936D+01  0.557653D+01 -0.754397D+01  0.116535D+02  0.225729D+01
      5   0.424586D+01  0.142519D+02 -0.375602D+01  0.213274D+01  0.611226D+01
      6   0.632526D+01  0.470930D+01  0.277579D+01 -0.200176D+01 -0.628845D+00
                31            32            33            34            35 
      1  -0.215330D+01 -0.982791D+01 -0.304786D+01 -0.129282D+01 -0.410866D+01
      2  -0.222087D+01  0.192459D+02  0.539681D+01 -0.929649D-01  0.341400D+01
      3   0.437417D+01 -0.941799D+01 -0.234895D+01  0.138578D+01  0.694661D+00
      4   0.129738D+02 -0.279775D+02 -0.887180D+01  0.304517D+01 -0.106859D+02
      5   0.296881D+01 -0.795308D+01 -0.772936D+01  0.726957D+01 -0.669517D+01
      6  -0.324020D+01  0.108028D+02  0.770177D+01 -0.268945D+01  0.952968D+01
                36            37            38            39            40 
      1  -0.354158D+01 -0.567575D+02  0.746356D+01  0.113155D+02  0.194390D+02
      2   0.113365D+01  0.336472D+02 -0.260434D+01  0.111531D+01 -0.118046D+02
      3   0.240793D+01  0.231103D+02 -0.485922D+01 -0.124308D+02 -0.763438D+01
      4  -0.760376D+01  0.963907D+01  0.121056D+02 -0.590312D+01  0.115134D+02
      5  -0.587370D+01  0.122858D+02 -0.839347D+01  0.169252D+02 -0.146938D+02
      6   0.647254D+01 -0.571773D+01 -0.461412D+01  0.647172D+01 -0.574415D+01
                41            42            43            44            45 
      1   0.839188D+01 -0.476028D+01 -0.593241D+00 -0.322961D+01  0.262364D+02
      2  -0.159190D+02 -0.287493D+01  0.232549D+01 -0.659458D+01  0.110440D+01
      3   0.752716D+01  0.763520D+01 -0.173225D+01  0.982419D+01 -0.273408D+02
      4  -0.158714D+02 -0.179028D+02 -0.999985D+01 -0.175063D+02  0.107733D+01
      5  -0.188842D+02  0.191413D+01  0.154962D+02 -0.178162D+01  0.156513D+02
      6  -0.281030D+01  0.552456D+01  0.448119D+01  0.391457D+01  0.369056D+01
                46            47            48            49            50 
      1  -0.187311D+02  0.486057D+01  0.224876D+01  0.305457D+01 -0.585121D+01
      2   0.400052D+01 -0.373254D+01 -0.192326D+01  0.249969D+01  0.133573D+02
      3   0.147306D+02 -0.112803D+01 -0.325503D+00 -0.555426D+01 -0.750612D+01
      4  -0.157915D+01  0.550432D+01 -0.693201D+00 -0.754562D+01  0.518705D+00
      5   0.995087D+01 -0.879120D+00  0.482083D+01 -0.732877D+01 -0.199661D+01
      6  -0.384898D+01  0.809211D-01 -0.301114D+01  0.107489D+01  0.386643D+01
                51            52            53            54            55 
      1  -0.379656D+00  0.190219D+01 -0.128339D+01 -0.712713D+01  0.542329D+01
      2   0.695340D+01  0.181184D+01  0.286906D+01 -0.358510D+01 -0.542667D+00
      3  -0.657375D+01 -0.371403D+01 -0.158567D+01  0.107122D+02 -0.488063D+01
      4  -0.238391D+01 -0.433854D+01 -0.145973D+01 -0.535557D+00  0.249236D+01
      5  -0.851052D-01  0.754064D+01 -0.438448D+00  0.223815D+00  0.737817D+00
      6  -0.237537D+01 -0.128065D+01  0.618983D+01 -0.254880D+01  0.110992D+01
                56            57            58            59            60 
      1   0.316125D+01 -0.300738D+00  0.606910D+01 -0.100314D+02 -0.104726D+01
      2  -0.121485D+01 -0.341182D+00 -0.120179D+01  0.262152D+02  0.637496D+01
      3  -0.194641D+01  0.641920D+00 -0.486731D+01 -0.161838D+02 -0.532769D+01
      4   0.252389D+01  0.204891D+01  0.959346D+01  0.323418D+02  0.576272D+01
      5   0.993833D+00 -0.111795D+01 -0.183465D+01  0.660830D+01  0.889700D+01
      6   0.549802D+00 -0.117148D+01 -0.926356D+00 -0.367665D+01  0.413879D+01
                61            62            63            64            65 
      1   0.429760D+01 -0.283517D+00 -0.467080D+01 -0.124655D+00  0.984341D+00
      2  -0.179429D+01  0.587087D+01  0.326616D+01 -0.327995D+01 -0.456573D+00
      3  -0.250331D+01 -0.558735D+01  0.140464D+01  0.340461D+01 -0.527768D+00
      4   0.530919D+01  0.117237D+02  0.568600D+01 -0.130274D+01 -0.147432D+01
      5   0.262702D-01  0.633140D+01  0.390107D+01 -0.168828D+01  0.110199D+01
      6   0.809328D-01  0.372533D+01  0.251996D+01 -0.837101D+00  0.240705D+01
                66            67            68            69            70 
      1  -0.111102D+02 -0.137156D+01 -0.518542D+01  0.289855D+01 -0.870963D+01
      2  -0.793211D+00  0.108948D+01  0.212281D+01 -0.137014D+01  0.443474D+01
      3   0.119034D+02  0.282080D+00  0.306261D+01 -0.152841D+01  0.427490D+01
      4  -0.415504D+00  0.121900D+01  0.306679D+01 -0.331590D+01 -0.336422D+01
      5  -0.287161D+01  0.859963D+00 -0.259989D+01  0.197310D+01  0.780878D+01
      6  -0.293985D+01  0.417857D+00 -0.234834D+01  0.804523D+01 -0.871142D-01
                71            72            73            74            75 
      1   0.400200D+01 -0.277989D+02  0.899379D+02 -0.487256D+01 -0.761407D+01
      2  -0.290537D-01 -0.148672D+02 -0.499532D+02  0.375559D+01  0.683022D+01
      3  -0.397295D+01  0.426661D+02 -0.399847D+02  0.111697D+01  0.783849D+00
      4  -0.522828D+01  0.326755D+01  0.399189D+01  0.103651D+02 -0.465571D+00
      5   0.546971D+01 -0.356499D+02 -0.263676D+02  0.102869D+01  0.132321D+02
      6   0.758698D+01 -0.128795D+02  0.903915D+00 -0.283003D+01  0.998175D+00
                76            77            78            79            80 
      1  -0.160938D+02  0.687685D+01  0.170258D+01  0.568591D+00  0.400828D+00
      2   0.962091D+01 -0.162119D+01 -0.138051D+01  0.183622D+01  0.421528D+00
      3   0.647288D+01 -0.525566D+01 -0.322070D+00 -0.240482D+01 -0.822357D+00
      4   0.983482D+01 -0.211470D+01  0.512546D+00  0.715283D+00  0.129415D+01
      5   0.627860D+01 -0.725366D+00 -0.361834D+01  0.117739D+02 -0.408958D+00
      6  -0.255195D+01  0.128573D+01  0.849959D+00  0.458635D+00  0.101376D+01
                81            82            83            84            85 
      1   0.457973D+01  0.127868D+02  0.936466D+01  0.135782D+01 -0.199085D+01
      2  -0.522875D+01 -0.820913D+01 -0.634649D+01  0.216663D+01  0.104645D+02
      3   0.649011D+00 -0.457768D+01 -0.301817D+01 -0.352445D+01 -0.847363D+01
      4  -0.752335D-01  0.404856D+01 -0.193113D+02 -0.335097D+01  0.983268D+01
      5  -0.534069D+01 -0.364843D+01 -0.285530D+01 -0.607817D+01 -0.806476D-01
      6  -0.664271D+00 -0.689321D+00  0.544879D+00 -0.509791D+01  0.537996D+01
                86            87            88            89            90 
      1   0.798236D+01  0.390757D+01 -0.222579D+01  0.364948D+01 -0.156272D+02
      2  -0.138184D+02 -0.622188D+01  0.402258D+01 -0.964337D+01  0.149388D+01
      3   0.583608D+01  0.231431D+01 -0.179680D+01  0.599389D+01  0.141333D+02
      4   0.153894D+02  0.237445D+01 -0.645959D+00  0.204431D+01  0.699791D+01
      5   0.242886D+01  0.550989D+00  0.471133D+01  0.615156D+01  0.328778D+01
      6  -0.842496D+01  0.588133D+01 -0.179581D+01  0.147418D+02  0.404113D+01
                91            92            93            94            95 
      1  -0.146892D+01 -0.240053D+02 -0.591828D+01  0.295286D+02  0.346592D+01
      2  -0.236702D+01  0.148766D+02 -0.517092D+00 -0.281026D+02 -0.723162D+01
      3   0.383594D+01  0.912869D+01  0.643538D+01 -0.142600D+01  0.376570D+01
      4  -0.146967D+02  0.292022D+01  0.120055D+01 -0.145021D+00 -0.110246D+02
      5   0.605449D+00 -0.494510D-01  0.553935D+01 -0.579261D+01 -0.806134D+01
      6  -0.330931D+00  0.148457D+01  0.770368D+01 -0.727052D+01 -0.680171D+01
                96            97            98            99           100 
      1   0.924355D+00  0.650312D+01  0.187467D+01  0.190907D+01 -0.129393D+02
      2  -0.150459D+01 -0.919177D+01 -0.635089D+01 -0.923424D+01  0.779361D+01
      3   0.580240D+00  0.268865D+01  0.447622D+01  0.732517D+01  0.514567D+01
      4  -0.912214D+01 -0.342421D+01 -0.837136D+01  0.148047D+02  0.279323D+01
      5   0.140606D+02  0.203805D+02  0.148843D+02  0.943549D+01  0.203079D+01
      6   0.481489D+01  0.662989D+01  0.125021D+02  0.204541D+00  0.829061D+00
               101           102           103           104           105 
      1   0.564839D+01  0.330184D+01 -0.894065D+01 -0.201762D+02 -0.744226D+01
      2  -0.418638D+01 -0.949441D+00  0.799719D+01  0.178736D+02  0.972812D+01
      3  -0.146201D+01 -0.235240D+01  0.943452D+00  0.230261D+01 -0.228587D+01
      4   0.245557D+02  0.410764D+00 -0.206981D+02  0.316310D+01  0.356575D+01
      5   0.170878D+00  0.211414D+02 -0.109361D+02  0.930944D+00 -0.277598D+01
      6   0.138381D+00 -0.284392D+01  0.311755D+01  0.466121D+01 -0.527905D+01
               106           107           108           109           110 
      1   0.804362D+00 -0.710865D+01  0.146062D+02  0.851027D+01  0.211639D+02
      2   0.147798D+01  0.529221D+01 -0.174712D+02 -0.821632D+01 -0.131538D+02
      3  -0.228234D+01  0.181644D+01  0.286501D+01 -0.293946D+00 -0.801011D+01
      4  -0.119911D+02  0.173312D+01 -0.331807D+01  0.151849D+02 -0.568794D+01
      5   0.368891D+02 -0.325952D+01 -0.321518D+01  0.456330D+01 -0.590796D+00
      6  -0.217075D+01  0.662890D+01 -0.436316D+01 -0.423598D+01  0.208835D+00
               111           112           113           114           115 
      1   0.340517D+01 -0.232338D+02  0.111811D+02  0.327239D+01 -0.431088D+01
      2   0.323793D-01  0.213510D+02 -0.162168D+02 -0.669654D+01  0.664307D+01
      3  -0.343755D+01  0.188280D+01  0.503565D+01  0.342416D+01 -0.233219D+01
      4  -0.233014D+01  0.121372D+02  0.418823D+01  0.640703D+01 -0.118756D+01
      5  -0.245750D+01 -0.198589D+00  0.693935D+01 -0.128517D+02  0.139325D+02
      6  -0.540063D+01  0.481298D+01 -0.103085D+02  0.776939D+01 -0.582581D+01
               116           117           118           119           120 
      1   0.151745D+01 -0.640220D+01  0.166286D+00 -0.180780D+02 -0.380482D+01
      2  -0.856018D+01 -0.451607D+01 -0.116863D+01  0.130680D+02 -0.743579D+00
      3   0.704273D+01  0.109183D+02  0.100234D+01  0.501003D+01  0.454840D+01
      4   0.832889D+01 -0.149967D+02 -0.976680D+01 -0.136457D+02 -0.793859D+00
      5  -0.150594D+02 -0.856602D+01 -0.378401D+01 -0.156605D+01 -0.340453D+01
      6   0.157496D+02  0.367811D+01  0.201657D+01  0.302009D-01  0.853049D+01
               121           122           123           124           125 
      1   0.466038D+01  0.146380D+01  0.258416D+01  0.786672D-02  0.402599D+01
      2  -0.149300D+02 -0.486322D+01 -0.350535D+01 -0.602839D+01 -0.624477D+01
      3   0.102696D+02  0.339942D+01  0.921194D+00  0.602053D+01  0.221878D+01
      4   0.323804D+01 -0.132360D+02 -0.222082D+01  0.213360D+01 -0.138576D+01
      5   0.391737D+01 -0.213655D+01  0.252580D+01  0.189332D+01 -0.202025D+01
      6  -0.674660D+01 -0.464508D+01  0.439665D+01  0.527503D+01  0.109532D+02
               126           127           128           129           130 
      1  -0.148190D+02 -0.531058D+01  0.890239D+01  0.198721D+01  0.773574D+01
      2   0.183369D+01  0.688325D+01 -0.110033D+02 -0.166288D+01 -0.949869D+01
      3   0.129853D+02 -0.157266D+01  0.210086D+01 -0.324329D+00  0.176295D+01
      4  -0.302881D+01 -0.392810D+01  0.761181D+01  0.123930D+01  0.498866D+01
      5   0.596738D+00 -0.870313D+00  0.124224D+01  0.173440D+01  0.944867D+00
      6   0.402640D+00  0.210973D+01 -0.279098D+01 -0.204905D+01 -0.249587D+01
               131           132           133           134           135 
      1  -0.343693D+02 -0.663918D+01  0.151484D+01 -0.632525D+01 -0.235091D+01
      2   0.456115D+02  0.629663D+01 -0.204223D+01  0.785043D+01  0.307176D+01
      3  -0.112422D+02  0.342556D+00  0.527388D+00 -0.152518D+01 -0.720848D+00
      4   0.456300D+00  0.385666D+00  0.113779D+01  0.363532D-01 -0.117522D+01
      5   0.551339D+00 -0.192798D+00  0.463736D+00 -0.473541D+00 -0.459390D+00
      6   0.109041D+02  0.783210D+01 -0.585810D+00  0.359214D+01  0.226445D+01
               136           137           138           139           140 
      1   0.225761D+02  0.145266D+02  0.244646D+01  0.907253D+01  0.376975D+01
      2  -0.414530D+01  0.649620D+00 -0.802951D+00  0.663874D+01  0.166622D+02
      3  -0.184308D+02 -0.151762D+02 -0.164350D+01 -0.157113D+02 -0.204320D+02
      4   0.341208D+02  0.311146D+02  0.420708D+01  0.344111D+02  0.445714D+02
      5   0.639600D+01  0.478461D+01  0.605810D+01  0.655507D+01  0.773679D+01
      6   0.263076D+01  0.227553D+01  0.302742D+01  0.421924D+01  0.586528D+01
               141           142           143           144           145 
      1   0.679633D+00  0.129293D+01  0.154051D+00  0.319478D-01  0.101234D+03
      2   0.872160D+00  0.112214D+01  0.261992D+01  0.105567D+01 -0.566924D+02
      3  -0.155179D+01 -0.241507D+01 -0.277397D+01 -0.108761D+01 -0.445413D+02
      4   0.681262D+01  0.584729D+01  0.721447D+01  0.268146D+01 -0.157060D+02
      5   0.545980D+01  0.226268D+01  0.236152D+01  0.128441D+01 -0.503113D+01
      6   0.582334D+01  0.174011D+01  0.233318D+01  0.173077D+01 -0.204643D+01
               146           147           148           149           150 
      1  -0.946834D+01 -0.405059D+01 -0.852080D+01  0.998430D+01  0.171795D+01
      2   0.462189D+01  0.262236D+01  0.359784D+01 -0.452229D+01 -0.147264D+01
      3   0.484645D+01  0.142823D+01  0.492296D+01 -0.546201D+01 -0.245308D+00
      4   0.974618D+01  0.511325D+00  0.165680D+02 -0.476129D+01 -0.104006D+01
      5   0.308513D+00  0.919778D+01  0.329044D+01 -0.960922D+00 -0.122438D+01
      6  -0.463637D-01 -0.637308D+00 -0.471075D+00 -0.137912D+00  0.167303D+01
               151           152           153           154           155 
      1  -0.425086D+01  0.176848D+01  0.270491D+01  0.507597D+01 -0.460160D+01
      2   0.224103D+01 -0.983857D+00 -0.149287D+01  0.390239D+01 -0.554715D+01
      3   0.200984D+01 -0.784620D+00 -0.121203D+01 -0.897836D+01  0.101487D+02
      4   0.343718D+01 -0.117828D+01 -0.576558D+00 -0.188259D+02  0.239118D+02
      5   0.170343D+01 -0.363243D+00 -0.868518D+00 -0.355904D+01  0.401153D+01
      6  -0.956683D-01  0.510187D+00  0.426187D+00  0.276624D+01 -0.306627D+01
               156           157           158           159           160 
      1  -0.966397D+00  0.141071D+01 -0.166493D+02 -0.314249D+01  0.130155D+00
      2  -0.417485D+00 -0.123196D+02  0.394877D+02  0.519768D+01 -0.196282D+01
      3   0.138388D+01  0.109089D+02 -0.228384D+02 -0.205519D+01  0.183266D+01
      4   0.440937D+01  0.247201D+02 -0.480078D+02 -0.887010D+01  0.500072D+01
      5   0.425637D+01  0.447865D+01 -0.808044D+01 -0.526751D+01  0.172359D+01
      6  -0.244349D+01 -0.460847D+01  0.111201D+02  0.818286D+01 -0.180174D+01
               161           162           163           164           165 
      1  -0.292789D+01 -0.144164D+01 -0.332943D+01 -0.624593D+01 -0.120063D+01
      2   0.682215D+01  0.264911D+01  0.551129D+01  0.902101D+01  0.106518D+01
      3  -0.389425D+01 -0.120747D+01 -0.218185D+01 -0.277508D+01  0.135456D+00
      4  -0.960945D+01 -0.290210D+01  0.921125D+01  0.849068D+01  0.619784D+00
      5  -0.212530D+01 -0.149620D+01 -0.263117D+00  0.578081D+00  0.205129D+01
      6   0.365786D+01  0.252663D+01  0.867676D+00  0.172144D+01  0.186479D+01
               166           167           168           169           170 
      1  -0.816616D+01 -0.204731D+02 -0.331353D+01 -0.134317D+01 -0.327779D+01
      2   0.111523D+02  0.275429D+02  0.282737D+01  0.230639D+01  0.417521D+01
      3  -0.298619D+01 -0.706975D+01  0.486160D+00 -0.963211D+00 -0.897418D+00
      4   0.848865D+01  0.883796D+01  0.859591D+00  0.102855D+01  0.120667D+01
      5   0.858579D+00  0.917311D+00  0.154663D+01  0.614775D+00  0.676961D+00
      6   0.224983D+01  0.490580D+01  0.502802D+01  0.479806D+00  0.191906D+01
               171 
      1  -0.472305D+00
      2   0.148658D+01
      3  -0.101427D+01
      4   0.186154D+01
      5   0.353441D+00
      6   0.104095D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:56:31 2021, MaxMem=  5368709120 cpu:            6389.9 elap:             800.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14932 -10.24128 -10.19848 -10.19603 -10.19510
 Alpha  occ. eigenvalues --  -10.19499 -10.19439 -10.19306 -10.17887  -1.02721
 Alpha  occ. eigenvalues --   -0.86988  -0.78641  -0.75833  -0.73369  -0.64656
 Alpha  occ. eigenvalues --   -0.61649  -0.59191  -0.53625  -0.49051  -0.47914
 Alpha  occ. eigenvalues --   -0.45614  -0.44488  -0.42948  -0.42836  -0.40108
 Alpha  occ. eigenvalues --   -0.38693  -0.37112  -0.36626  -0.34953  -0.32952
 Alpha  occ. eigenvalues --   -0.28312  -0.26487  -0.25841
 Alpha virt. eigenvalues --   -0.02414  -0.02260  -0.01229  -0.00011   0.00311
 Alpha virt. eigenvalues --    0.01225   0.02226   0.02300   0.03115   0.04494
 Alpha virt. eigenvalues --    0.04953   0.05964   0.06432   0.06913   0.07653
 Alpha virt. eigenvalues --    0.08502   0.08519   0.08870   0.09288   0.09829
 Alpha virt. eigenvalues --    0.10136   0.10236   0.10542   0.10732   0.10916
 Alpha virt. eigenvalues --    0.11494   0.11579   0.12207   0.12770   0.13142
 Alpha virt. eigenvalues --    0.13889   0.14745   0.14943   0.15378   0.15667
 Alpha virt. eigenvalues --    0.16771   0.17249   0.18330   0.19010   0.19965
 Alpha virt. eigenvalues --    0.20703   0.21714   0.21988   0.22350   0.22982
 Alpha virt. eigenvalues --    0.23684   0.23842   0.24497   0.24770   0.25167
 Alpha virt. eigenvalues --    0.25694   0.25878   0.26175   0.26951   0.27282
 Alpha virt. eigenvalues --    0.28120   0.28210   0.28999   0.29415   0.30131
 Alpha virt. eigenvalues --    0.31234   0.31899   0.32615   0.33024   0.33122
 Alpha virt. eigenvalues --    0.34030   0.35267   0.35884   0.36571   0.36720
 Alpha virt. eigenvalues --    0.37626   0.38041   0.38676   0.40182   0.40373
 Alpha virt. eigenvalues --    0.41539   0.42603   0.43020   0.43806   0.44211
 Alpha virt. eigenvalues --    0.45555   0.46433   0.46758   0.47257   0.47871
 Alpha virt. eigenvalues --    0.48824   0.49509   0.50049   0.50797   0.52933
 Alpha virt. eigenvalues --    0.53223   0.54113   0.54294   0.55113   0.55390
 Alpha virt. eigenvalues --    0.55913   0.56565   0.57036   0.58102   0.58863
 Alpha virt. eigenvalues --    0.59499   0.60069   0.60443   0.61580   0.62154
 Alpha virt. eigenvalues --    0.62992   0.63258   0.63971   0.64516   0.64881
 Alpha virt. eigenvalues --    0.65156   0.65516   0.66015   0.67559   0.68845
 Alpha virt. eigenvalues --    0.69417   0.70453   0.71051   0.72698   0.74025
 Alpha virt. eigenvalues --    0.74706   0.74830   0.76225   0.76854   0.77192
 Alpha virt. eigenvalues --    0.77986   0.78301   0.79617   0.80068   0.80593
 Alpha virt. eigenvalues --    0.81057   0.82863   0.83932   0.85577   0.86894
 Alpha virt. eigenvalues --    0.87827   0.88808   0.90450   0.92019   0.95226
 Alpha virt. eigenvalues --    0.95735   0.97077   0.98426   0.99474   1.00667
 Alpha virt. eigenvalues --    1.02583   1.04661   1.06097   1.06878   1.09187
 Alpha virt. eigenvalues --    1.11749   1.13928   1.14689   1.17594   1.20875
 Alpha virt. eigenvalues --    1.22401   1.27880   1.29328   1.30030   1.32489
 Alpha virt. eigenvalues --    1.32724   1.33531   1.35155   1.36640   1.37003
 Alpha virt. eigenvalues --    1.37726   1.39520   1.40789   1.41343   1.41893
 Alpha virt. eigenvalues --    1.44259   1.44654   1.47984   1.49334   1.49824
 Alpha virt. eigenvalues --    1.50741   1.51844   1.52621   1.54715   1.55497
 Alpha virt. eigenvalues --    1.57224   1.58258   1.59776   1.61343   1.63573
 Alpha virt. eigenvalues --    1.64689   1.65737   1.67521   1.68427   1.69445
 Alpha virt. eigenvalues --    1.70488   1.71313   1.72471   1.74839   1.75022
 Alpha virt. eigenvalues --    1.75963   1.77536   1.80417   1.81116   1.83419
 Alpha virt. eigenvalues --    1.84615   1.85852   1.87104   1.87829   1.89113
 Alpha virt. eigenvalues --    1.89788   1.92197   1.93510   1.95979   1.97429
 Alpha virt. eigenvalues --    1.99659   2.00743   2.01783   2.02068   2.04179
 Alpha virt. eigenvalues --    2.06000   2.07601   2.08902   2.10327   2.11823
 Alpha virt. eigenvalues --    2.13348   2.15077   2.15365   2.17469   2.20066
 Alpha virt. eigenvalues --    2.21027   2.22451   2.28607   2.30282   2.31138
 Alpha virt. eigenvalues --    2.35863   2.37197   2.42126   2.46379   2.48968
 Alpha virt. eigenvalues --    2.50749   2.51376   2.53226   2.54259   2.55239
 Alpha virt. eigenvalues --    2.58943   2.62935   2.68512   2.69997   2.71473
 Alpha virt. eigenvalues --    2.73831   2.79498   2.81626   2.85337   2.88505
 Alpha virt. eigenvalues --    2.95691   3.02758   3.05133   3.08086   3.27657
 Alpha virt. eigenvalues --    3.37385   3.44329   3.47429   3.50530   3.53220
 Alpha virt. eigenvalues --    3.58129   3.66440   3.98722   4.51325
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.415707  -0.259035   0.308764   0.005203  -0.001776  -0.100918
     2  C   -0.259035  11.825254  -0.168696  -1.866397   0.134191  -0.521873
     3  H    0.308764  -0.168696   0.698121   0.033772  -0.022482   0.029289
     4  H    0.005203  -1.866397   0.033772   2.766533   0.096758   0.419731
     5  C   -0.001776   0.134191  -0.022482   0.096758   4.563573   0.038976
     6  C   -0.100918  -0.521873   0.029289   0.419731   0.038976  19.574768
     7  H    0.036404  -0.236990   0.012882   0.087023   0.326871   0.154420
     8  H    0.025176   0.140800   0.003539  -0.094935   0.188959  -0.410877
     9  H   -0.028715   0.148925  -0.005641  -0.047321   0.049362   0.236506
    10  C    0.113406  -3.606395   0.010136   0.458630  -0.071671  -9.948803
    11  C   -0.006775   0.085781   0.011647  -0.033312   0.036320   3.820711
    12  C    0.014108  -0.166886  -0.004466   0.042308  -0.041509  -5.301430
    13  C   -0.023291   0.093974   0.013689  -0.061306   0.109818   4.093623
    14  C    0.041371  -0.790533   0.023336   0.018011  -0.337327  -8.563740
    15  H   -0.003711   0.376320   0.006016  -0.165819  -0.011774   1.013292
    16  H    0.000357   0.012552   0.000428  -0.002036   0.004733  -0.397122
    17  H    0.000163  -0.014356   0.000102   0.002138   0.000192   0.159944
    18  H   -0.001699   0.049326  -0.002332   0.000653  -0.003981  -0.443252
    19  H   -0.029261   0.186657  -0.006556   0.023357   0.083810   0.457511
               7          8          9         10         11         12
     1  O    0.036404   0.025176  -0.028715   0.113406  -0.006775   0.014108
     2  C   -0.236990   0.140800   0.148925  -3.606395   0.085781  -0.166886
     3  H    0.012882   0.003539  -0.005641   0.010136   0.011647  -0.004466
     4  H    0.087023  -0.094935  -0.047321   0.458630  -0.033312   0.042308
     5  C    0.326871   0.188959   0.049362  -0.071671   0.036320  -0.041509
     6  C    0.154420  -0.410877   0.236506  -9.948803   3.820711  -5.301430
     7  H    1.663478  -0.152255  -0.450009   0.111874   0.010110  -0.007797
     8  H   -0.152255   1.863595  -0.325256  -0.012606  -0.015364   0.005171
     9  H   -0.450009  -0.325256   1.780022  -0.099079   0.000237  -0.004067
    10  C    0.111874  -0.012606  -0.099079  25.461733  -6.679982   5.511943
    11  C    0.010110  -0.015364   0.000237  -6.679982  15.179810  -6.235188
    12  C   -0.007797   0.005171  -0.004067   5.511943  -6.235188  13.505031
    13  C   -0.075955   0.026771   0.031135  -6.457875   5.619811  -6.069026
    14  C   -0.080420   0.072308  -0.017992   2.656417  -5.617611   4.885486
    15  H    0.004018   0.014284  -0.007975  -2.831989   0.727422  -0.309985
    16  H   -0.000699  -0.001911   0.001190   1.100488  -1.967493   0.800960
    17  H    0.000548   0.000339  -0.000143  -0.243902   0.834906  -1.881182
    18  H   -0.001597  -0.001369   0.000956   0.277457  -0.489345   0.789418
    19  H   -0.127749  -0.044721   0.017832  -0.347808   0.209309  -0.273798
              13         14         15         16         17         18
     1  O   -0.023291   0.041371  -0.003711   0.000357   0.000163  -0.001699
     2  C    0.093974  -0.790533   0.376320   0.012552  -0.014356   0.049326
     3  H    0.013689   0.023336   0.006016   0.000428   0.000102  -0.002332
     4  H   -0.061306   0.018011  -0.165819  -0.002036   0.002138   0.000653
     5  C    0.109818  -0.337327  -0.011774   0.004733   0.000192  -0.003981
     6  C    4.093623  -8.563740   1.013292  -0.397122   0.159944  -0.443252
     7  H   -0.075955  -0.080420   0.004018  -0.000699   0.000548  -0.001597
     8  H    0.026771   0.072308   0.014284  -0.001911   0.000339  -0.001369
     9  H    0.031135  -0.017992  -0.007975   0.001190  -0.000143   0.000956
    10  C   -6.457875   2.656417  -2.831989   1.100488  -0.243902   0.277457
    11  C    5.619811  -5.617611   0.727422  -1.967493   0.834906  -0.489345
    12  C   -6.069026   4.885486  -0.309985   0.800960  -1.881182   0.789418
    13  C   16.239299  -7.281180   0.177482  -0.403169   0.826183  -2.174993
    14  C   -7.281180  21.349225  -0.137562   0.234681  -0.256954   1.374539
    15  H    0.177482  -0.137562   3.441285  -0.220179  -0.028995   0.018960
    16  H   -0.403169   0.234681  -0.220179   2.771285  -0.148772  -0.037144
    17  H    0.826183  -0.256954  -0.028995  -0.148772   2.699642  -0.150863
    18  H   -2.174993   1.374539   0.018960  -0.037144  -0.150863   2.845769
    19  H    0.927977  -2.607623  -0.055288   0.022441  -0.030644  -0.234275
              19
     1  O   -0.029261
     2  C    0.186657
     3  H   -0.006556
     4  H    0.023357
     5  C    0.083810
     6  C    0.457511
     7  H   -0.127749
     8  H   -0.044721
     9  H    0.017832
    10  C   -0.347808
    11  C    0.209309
    12  C   -0.273798
    13  C    0.927977
    14  C   -2.607623
    15  H   -0.055288
    16  H    0.022441
    17  H   -0.030644
    18  H   -0.234275
    19  H    3.896203
 Mulliken charges:
               1
     1  O   -0.505478
     2  C    0.577379
     3  H    0.058453
     4  H   -0.682991
     5  C    0.856957
     6  C    1.689245
     7  H   -0.274155
     8  H   -0.281648
     9  H   -0.279964
    10  C    0.598025
    11  C    0.509007
    12  C    0.740910
    13  C    0.387032
    14  C    1.035569
    15  H   -1.005802
    16  H   -0.770590
    17  H   -0.768346
    18  H   -0.816228
    19  H   -1.067374
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.447026
     2  C   -0.105612
     5  C    0.021191
     6  C    1.689245
    10  C   -0.407777
    11  C   -0.261583
    12  C   -0.027436
    13  C   -0.429196
    14  C   -0.031805
 Electronic spatial extent (au):  <R**2>=           1275.5097
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0560    Y=              1.0822    Z=             -0.6987  Tot=              1.6657
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.0595   YY=            -51.6153   ZZ=            -57.2082
   XY=              2.6577   XZ=             -2.8017   YZ=              4.0845
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.4318   YY=              3.0124   ZZ=             -2.5806
   XY=              2.6577   XZ=             -2.8017   YZ=              4.0845
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -15.2224  YYY=             -2.1918  ZZZ=              7.7495  XYY=             -1.4671
  XXY=              4.3427  XXZ=             -6.1893  XZZ=              8.0772  YZZ=              3.0740
  YYZ=              0.2395  XYZ=              4.2696
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1179.7464 YYYY=           -341.3217 ZZZZ=           -177.1760 XXXY=              6.5195
 XXXZ=            -16.9882 YYYX=             -4.0776 YYYZ=             10.1108 ZZZX=             14.2192
 ZZZY=              2.7697 XXYY=           -252.0823 XXZZ=           -249.5153 YYZZ=            -98.9595
 XXYZ=             17.9690 YYXZ=              0.2778 ZZXY=              6.2876
 N-N= 4.248504215648D+02 E-N=-1.747380480488D+03  KE= 3.838823698827D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:56:31 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.14971907D-01 4.30441933D-01-2.36946877D-01
 Polarizability= 1.20315009D+02 6.58091285D-01 9.70346880D+01
                -1.68596022D+00 5.91441758D+00 6.67553385D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.6800    0.6792        0.5244    0.5235
 2     -0.6800   -0.6792       -2.8066   -2.8064      -13.3250  -13.3309
 3     -0.5244   -0.5235       28.7258   28.7315        2.8051    2.8064
 4      2.8066    2.8064        0.0000    0.0000       -0.5255   -0.5235
 5    -15.4008  -15.4006        0.5255    0.5235        0.6798    0.6792
 6     -2.8051   -2.8064       -0.6798   -0.6792       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.0375   -2.0375        1.5705    1.5705
 2      8.4193    8.4193       -0.0000    0.0000        1.5705    1.5705
 3      8.4193    8.4193       -2.0375   -2.0375       -0.0000    0.0000
 4     -2.0375   -2.0375       -8.4193   -8.4193      -39.9928  -39.9928
 5     -1.5705   -1.5705       86.1945   86.1945        8.4193    8.4193
 6    -46.2017  -46.2017        1.5705    1.5705        2.0375    2.0375
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0117    0.0000       -2.6366   -2.7167       -2.2243   -2.0939
 2      2.6485    2.7167       11.1831   11.2257       53.3015   53.3238
 3      2.1944    2.0939     -114.7845 -114.9260      -11.2685  -11.2257
 4    -11.1691  -11.2257        0.0841    0.0000        2.0765    2.0939
 5     61.4904   61.6023       -2.1235   -2.0939       -2.6690   -2.7167
 6     11.2195   11.2257        2.9633    2.7167       -0.0476    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0421    0.0000       -1.2253   -1.1671       -3.4409   -3.7979
 2      1.0404    1.1671       50.1024   49.8961       22.2237   22.5209
 3      3.8335    3.7979       19.6080   19.8283      -49.2731  -49.8961
 4    -49.4931  -49.8961       -0.2025    0.0000        3.6818    3.7979
 5    -41.8787  -42.3492       -4.1754   -3.7979       -1.1529   -1.1671
 6     49.7274   49.8961        1.2815    1.1671       -0.4164    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -30.5301  -30.4536       -5.9317   -6.0848       -1.8977   -1.8923
 2   -107.7281 -107.9461       -3.0063   -3.0504       -2.0498   -1.8923
 3   -107.7817 -107.9461       -6.1293   -6.0848        0.2788    0.4066
 4     -2.9391   -3.0344       77.3795   77.4925       30.9182   30.9387
 5      2.3410    2.2989       34.0578   34.0800      -78.0248  -77.4925
 6    -64.8706  -65.0187       -2.6529   -2.2989        3.0971    3.0344
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006    0.0006    0.0010    1.8448    3.3336    7.6452
 Low frequencies ---   16.5561  125.3398  198.2235
 Diagonal vibrational polarizability:
       68.2989721      24.6285691      65.0950305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     16.5296               125.3396               198.2231
 Red. masses --      3.4791                 3.5210                 1.2501
 Frc consts  --      0.0006                 0.0326                 0.0289
 IR Inten    --      0.6745                 1.3222                90.6047
 RamAct Fr= 1--      3.6926                 4.4123                 0.7260
  Dep-P Fr= 1--      0.7478                 0.7500                 0.6058
  Dep-U Fr= 1--      0.8557                 0.8571                 0.7545
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0019
 Beta2  Fr= 1--      0.5266                 0.6303                 0.0913
 AlphaG Fr= 1--      0.0006                 0.0000                 0.0161
 Gamma2 Fr= 1--      0.1430                 0.1312                 0.6943
 Delta2 Fr= 1--      0.2302                 0.0413                 0.1640
 Raman1 Fr= 1--      14.770                 17.649                  2.904
 ROA1   Fr= 1--      21.095                 13.911                 71.896
 CID1   Fr= 1--       1.428                  0.788                 24.758
 Raman2 Fr= 1--       6.320                  7.564                  1.096
 ROA2   Fr= 1--       1.590                  2.817                 15.350
 CID2   Fr= 1--       0.252                  0.372                 14.011
 Raman3 Fr= 1--      12.639                 15.128                  2.191
 ROA3   Fr= 1--      21.095                 13.911                 71.896
 CID3   Fr= 1--       1.669                  0.920                 32.812
 RC180  Fr= 1--       0.711                  0.714                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04   0.21   0.07     0.21  -0.09  -0.06    -0.02  -0.05   0.00
     2   6    -0.00  -0.03   0.06    -0.00  -0.01   0.04    -0.01   0.01   0.01
     3   1     0.06   0.30  -0.05     0.47  -0.01  -0.01     0.80   0.48  -0.22
     4   1    -0.00  -0.11   0.23    -0.05   0.02  -0.04    -0.05  -0.01   0.03
     5   6    -0.05  -0.16  -0.15    -0.15   0.06  -0.02     0.06  -0.04   0.01
     6   6    -0.00  -0.04   0.05    -0.01  -0.02   0.18    -0.01   0.05  -0.01
     7   1    -0.10  -0.07  -0.34    -0.05   0.02   0.09     0.10  -0.03  -0.00
     8   1    -0.07  -0.37  -0.16    -0.37   0.17   0.06     0.07  -0.02   0.01
     9   1    -0.04  -0.11  -0.11    -0.15   0.06  -0.27     0.04  -0.10   0.02
    10   6    -0.02   0.01  -0.12    -0.01  -0.02   0.15     0.01   0.04  -0.02
    11   6    -0.02   0.03  -0.17    -0.02   0.02  -0.05     0.01  -0.01  -0.00
    12   6     0.00   0.01  -0.04    -0.03   0.05  -0.20    -0.02  -0.03   0.02
    13   6     0.02  -0.03   0.13    -0.02   0.02  -0.09    -0.05  -0.01   0.01
    14   6     0.02  -0.05   0.17    -0.02  -0.01   0.11    -0.04   0.04  -0.01
    15   1    -0.03   0.02  -0.22    -0.01  -0.03   0.21     0.04   0.05  -0.03
    16   1    -0.03   0.07  -0.29    -0.02   0.03  -0.11     0.03  -0.03  -0.00
    17   1     0.00   0.03  -0.07    -0.03   0.08  -0.39    -0.03  -0.06   0.05
    18   1     0.03  -0.04   0.23    -0.03   0.04  -0.18    -0.08  -0.02   0.02
    19   1     0.03  -0.08   0.30    -0.02  -0.02   0.16    -0.07   0.06  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    237.2947               255.0164               326.7848
 Red. masses --      2.3018                 1.0887                 4.8379
 Frc consts  --      0.0764                 0.0417                 0.3044
 IR Inten    --     19.1597                 3.0426                10.0136
 RamAct Fr= 1--      0.6672                 0.1299                 2.5798
  Dep-P Fr= 1--      0.4252                 0.6220                 0.2128
  Dep-U Fr= 1--      0.5967                 0.7670                 0.3509
 Alpha2 Fr= 1--      0.0045                 0.0003                 0.0339
 Beta2  Fr= 1--      0.0664                 0.0166                 0.1509
 AlphaG Fr= 1--     -0.0089                 0.0009                -0.0168
 Gamma2 Fr= 1--      0.6086                 0.1038                 0.3244
 Delta2 Fr= 1--      0.3853                -0.0108                 0.1522
 Raman1 Fr= 1--       2.669                  0.520                 10.319
 ROA1   Fr= 1--      70.755                  9.622                 36.016
 CID1   Fr= 1--      26.511                 18.518                  3.490
 Raman2 Fr= 1--       0.796                  0.199                  1.811
 ROA2   Fr= 1--      11.524                  2.578                  6.569
 CID2   Fr= 1--      14.473                 12.936                  3.628
 Raman3 Fr= 1--       1.592                  0.399                  3.621
 ROA3   Fr= 1--      70.755                  9.622                 36.016
 CID3   Fr= 1--      44.432                 24.145                  9.946
 RC180  Fr= 1--       0.193                  0.534                 -0.298
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.06  -0.04    -0.01   0.03   0.01     0.32   0.12  -0.05
     2   6    -0.01   0.03  -0.01    -0.01   0.00   0.01     0.05  -0.02   0.01
     3   1    -0.38  -0.41   0.18    -0.15  -0.06   0.04    -0.01  -0.11   0.07
     4   1    -0.16   0.02  -0.04    -0.04  -0.02   0.03     0.06  -0.02   0.03
     5   6     0.11  -0.11  -0.07     0.03  -0.04  -0.01     0.19  -0.01   0.14
     6   6    -0.00   0.13   0.06    -0.00   0.02   0.00    -0.04  -0.08  -0.01
     7   1     0.06  -0.02  -0.28     0.49  -0.14   0.31     0.21  -0.06   0.25
     8   1     0.29  -0.32  -0.14    -0.33   0.34   0.13     0.40   0.14   0.08
     9   1     0.10  -0.15   0.16    -0.05  -0.35  -0.47     0.16  -0.12   0.34
    10   6     0.06   0.08   0.05     0.01   0.02  -0.01    -0.16  -0.01  -0.08
    11   6     0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.17   0.04  -0.02
    12   6    -0.04  -0.05  -0.04    -0.00  -0.02   0.01    -0.15   0.03   0.08
    13   6    -0.11  -0.00   0.01    -0.02  -0.01   0.00    -0.08  -0.02  -0.03
    14   6    -0.09   0.10   0.07    -0.01   0.02  -0.01    -0.08  -0.07  -0.09
    15   1     0.13   0.11   0.07     0.03   0.02  -0.02    -0.25  -0.04  -0.14
    16   1     0.11  -0.07  -0.04     0.03  -0.02  -0.02    -0.18   0.05  -0.03
    17   1    -0.06  -0.11  -0.11    -0.00  -0.04   0.03    -0.14   0.05   0.19
    18   1    -0.19  -0.03   0.00    -0.04  -0.01   0.01    -0.01   0.02  -0.04
    19   1    -0.14   0.14   0.09    -0.02   0.03  -0.02    -0.08  -0.07  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    336.4176               413.5041               492.6240
 Red. masses --      3.2429                 2.9314                 3.3121
 Frc consts  --      0.2162                 0.2953                 0.4736
 IR Inten    --      4.0323                 0.0255                 6.6527
 RamAct Fr= 1--      0.3429                 0.0509                 4.7613
  Dep-P Fr= 1--      0.7076                 0.4434                 0.0698
  Dep-U Fr= 1--      0.8288                 0.6143                 0.1305
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0897
 Beta2  Fr= 1--      0.0474                 0.0052                 0.1035
 AlphaG Fr= 1--     -0.0015                 0.0045                 0.0732
 Gamma2 Fr= 1--     -0.9743                 0.2363                -0.1760
 Delta2 Fr= 1--     -0.3146                 0.0211                 0.0535
 Raman1 Fr= 1--       1.371                  0.204                 19.045
 ROA1   Fr= 1--    -103.600                 23.359                -15.183
 CID1   Fr= 1--     -75.541                114.640                 -0.797
 Raman2 Fr= 1--       0.568                  0.063                  1.243
 ROA2   Fr= 1--     -20.866                  5.501                 -4.652
 CID2   Fr= 1--     -36.716                 87.898                 -3.744
 Raman3 Fr= 1--       1.137                  0.125                  2.485
 ROA3   Fr= 1--    -103.600                 23.359                -15.183
 CID3   Fr= 1--     -91.147                186.607                 -6.110
 RC180  Fr= 1--       0.658                  0.229                 -0.739
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.12   0.09  -0.10    -0.00   0.01  -0.00     0.03   0.12  -0.15
     2   6    -0.01   0.03  -0.14    -0.00  -0.00  -0.00    -0.17  -0.12  -0.06
     3   1    -0.01   0.24  -0.23    -0.01  -0.00   0.00    -0.07   0.11  -0.20
     4   1     0.03   0.04  -0.13    -0.01  -0.00  -0.00    -0.28  -0.16  -0.02
     5   6     0.18   0.03   0.01     0.01  -0.00   0.00    -0.12  -0.12   0.18
     6   6    -0.02  -0.05  -0.03    -0.00   0.00  -0.00    -0.06   0.05   0.04
     7   1     0.30  -0.02   0.14     0.01  -0.01   0.01    -0.23  -0.24   0.42
     8   1     0.33   0.23  -0.03    -0.00   0.01   0.00     0.16   0.14   0.10
     9   1     0.14  -0.15   0.12     0.00  -0.01  -0.01    -0.12  -0.11   0.45
    10   6    -0.04  -0.07   0.15    -0.00   0.04  -0.21     0.05   0.01  -0.00
    11   6    -0.04  -0.01   0.06     0.01  -0.04   0.21     0.07  -0.05  -0.03
    12   6    -0.02   0.04  -0.16    -0.00  -0.00  -0.00     0.12  -0.04   0.01
    13   6     0.02  -0.03   0.07    -0.01   0.04  -0.20     0.04   0.03  -0.01
    14   6     0.01  -0.08   0.15     0.01  -0.04   0.21     0.04   0.10   0.01
    15   1    -0.06  -0.11   0.26    -0.01   0.09  -0.44     0.16   0.06  -0.02
    16   1    -0.06  -0.00   0.09     0.01  -0.09   0.45     0.06  -0.03  -0.05
    17   1    -0.02   0.11  -0.38    -0.00  -0.00   0.00     0.12  -0.06   0.02
    18   1     0.05  -0.02   0.11    -0.01   0.08  -0.43    -0.05   0.00  -0.04
    19   1     0.05  -0.12   0.25     0.02  -0.08   0.46     0.05   0.09  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    543.1271               607.1570               638.6029
 Red. masses --      3.0795                 3.2153                 6.3389
 Frc consts  --      0.5352                 0.6983                 1.5231
 IR Inten    --      9.3841                15.1904                 0.0910
 RamAct Fr= 1--      0.4584                 1.2791                 4.4770
  Dep-P Fr= 1--      0.7386                 0.7258                 0.7309
  Dep-U Fr= 1--      0.8496                 0.8411                 0.8445
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0015
 Beta2  Fr= 1--      0.0649                 0.1793                 0.6302
 AlphaG Fr= 1--     -0.0008                 0.0024                 0.0046
 Gamma2 Fr= 1--     -0.2560                 0.0671                 0.0968
 Delta2 Fr= 1--     -0.0936                 0.0646                -0.0194
 Raman1 Fr= 1--       1.834                  5.116                 17.908
 ROA1   Fr= 1--     -27.570                  8.512                  8.675
 CID1   Fr= 1--     -15.035                  1.664                  0.484
 Raman2 Fr= 1--       0.779                  2.152                  7.562
 ROA2   Fr= 1--      -5.395                  1.095                  2.480
 CID2   Fr= 1--      -6.926                  0.509                  0.328
 Raman3 Fr= 1--       1.558                  4.303                 15.124
 ROA3   Fr= 1--     -27.570                  8.512                  8.675
 CID3   Fr= 1--     -17.696                  1.978                  0.574
 RC180  Fr= 1--       0.699                  0.682                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08  -0.01  -0.05     0.08  -0.03   0.02    -0.01   0.00  -0.02
     2   6    -0.07   0.12  -0.01    -0.15   0.19   0.10     0.02  -0.03  -0.02
     3   1     0.03   0.01   0.00     0.20  -0.17   0.29    -0.04   0.02  -0.06
     4   1    -0.07   0.16  -0.10    -0.14   0.22   0.03     0.04  -0.04  -0.00
     5   6     0.07   0.05  -0.05    -0.00   0.01   0.00    -0.01  -0.04   0.02
     6   6    -0.05  -0.07   0.25    -0.15  -0.00  -0.09    -0.00  -0.13  -0.02
     7   1     0.26   0.13  -0.18     0.29   0.15  -0.24    -0.05  -0.06   0.07
     8   1     0.19  -0.02  -0.10     0.05  -0.17  -0.03    -0.01   0.01   0.02
     9   1     0.02  -0.19   0.06    -0.08  -0.32   0.07    -0.01  -0.01   0.02
    10   6    -0.01  -0.08   0.03    -0.03  -0.14  -0.09     0.21  -0.21  -0.04
    11   6    -0.01  -0.01  -0.12    -0.00  -0.10   0.05     0.29   0.21   0.03
    12   6     0.07  -0.03   0.17     0.15   0.02  -0.10     0.00   0.14   0.03
    13   6     0.04   0.04  -0.12     0.05   0.07   0.08    -0.22   0.26   0.05
    14   6     0.02  -0.03   0.04    -0.00   0.03  -0.05    -0.26  -0.17  -0.02
    15   1    -0.00  -0.02  -0.24     0.06  -0.13   0.06     0.05  -0.27  -0.07
    16   1    -0.08   0.10  -0.43    -0.14  -0.03   0.28     0.18   0.30   0.03
    17   1     0.07  -0.01   0.20     0.15   0.02  -0.06    -0.06  -0.28  -0.06
    18   1     0.02   0.10  -0.44    -0.02   0.01   0.28    -0.06   0.33   0.04
    19   1     0.09  -0.03  -0.24     0.16  -0.11   0.07    -0.15  -0.25  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    711.6872               767.4278               789.4734
 Red. masses --      1.6933                 3.0851                 2.2557
 Frc consts  --      0.5053                 1.0705                 0.8284
 IR Inten    --     47.7269                23.3696                10.1280
 RamAct Fr= 1--      0.1018                13.4511                 4.1063
  Dep-P Fr= 1--      0.6017                 0.0429                 0.1183
  Dep-U Fr= 1--      0.7513                 0.0822                 0.2116
 Alpha2 Fr= 1--      0.0003                 0.2702                 0.0687
 Beta2  Fr= 1--      0.0128                 0.1844                 0.1448
 AlphaG Fr= 1--     -0.0008                 0.0205                -0.0169
 Gamma2 Fr= 1--     -0.0304                -0.9846                -0.9166
 Delta2 Fr= 1--     -0.0047                -0.5048                -0.1364
 Raman1 Fr= 1--       0.407                 53.804                 16.425
 ROA1   Fr= 1--      -3.070               -110.676                -92.362
 CID1   Fr= 1--      -7.536                 -2.057                 -5.623
 Raman2 Fr= 1--       0.153                  2.212                  1.738
 ROA2   Fr= 1--      -0.692                -19.592                -20.908
 CID2   Fr= 1--      -4.525                 -8.855                -12.032
 Raman3 Fr= 1--       0.306                  4.425                  3.475
 ROA3   Fr= 1--      -3.070               -110.676                -92.362
 CID3   Fr= 1--     -10.030                -25.013                -26.577
 RC180  Fr= 1--       0.503                 -0.836                 -0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.01   0.09    -0.03  -0.00   0.01
     2   6    -0.00   0.00   0.00     0.10  -0.12  -0.05     0.05  -0.08  -0.03
     3   1     0.01  -0.02   0.02    -0.06   0.06  -0.07    -0.10   0.07  -0.13
     4   1     0.01   0.00   0.01     0.11  -0.16   0.06     0.02  -0.10  -0.01
     5   6     0.00  -0.00   0.00     0.07   0.03  -0.06     0.06   0.04  -0.06
     6   6    -0.01   0.02  -0.10    -0.09   0.03  -0.11    -0.02  -0.04   0.22
     7   1    -0.01  -0.00   0.00    -0.19  -0.07   0.11    -0.07  -0.03   0.07
     8   1    -0.01   0.00   0.01    -0.03   0.15  -0.01     0.08   0.16  -0.06
     9   1     0.00   0.00  -0.01     0.15   0.35  -0.17     0.09   0.19  -0.05
    10   6    -0.00  -0.02   0.06    -0.06  -0.11   0.04    -0.02  -0.02  -0.08
    11   6    -0.01   0.02  -0.14    -0.07  -0.13  -0.03    -0.02  -0.05  -0.00
    12   6     0.01  -0.01   0.07     0.14  -0.04   0.07     0.04   0.02  -0.13
    13   6    -0.01   0.04  -0.14    -0.06   0.16   0.03    -0.03   0.06   0.02
    14   6    -0.00  -0.01   0.07    -0.04   0.14   0.09    -0.02   0.07  -0.07
    15   1     0.02  -0.10   0.50     0.03  -0.06  -0.07     0.01  -0.02  -0.02
    16   1    -0.01  -0.04   0.22    -0.24   0.05  -0.32    -0.06  -0.10   0.47
    17   1     0.02  -0.11   0.55     0.12   0.02  -0.34     0.06  -0.13   0.52
    18   1    -0.00  -0.04   0.23    -0.28   0.14  -0.31    -0.09  -0.06   0.47
    19   1     0.02  -0.09   0.50     0.02   0.12  -0.04     0.00   0.05  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    855.8034               904.5879               929.3942
 Red. masses --      1.2486                 2.3693                 1.4970
 Frc consts  --      0.5388                 1.1423                 0.7619
 IR Inten    --      0.0318                19.4717                 7.1707
 RamAct Fr= 1--      1.8674                 5.2062                 2.1148
  Dep-P Fr= 1--      0.7264                 0.5911                 0.7207
  Dep-U Fr= 1--      0.8416                 0.7430                 0.8377
 Alpha2 Fr= 1--      0.0008                 0.0154                 0.0011
 Beta2  Fr= 1--      0.2619                 0.6447                 0.2953
 AlphaG Fr= 1--     -0.0031                -0.0038                -0.0066
 Gamma2 Fr= 1--      0.0820                 1.5241                 0.2464
 Delta2 Fr= 1--      0.0093                 2.0423                 0.1578
 Raman1 Fr= 1--       7.469                 20.825                  8.459
 ROA1   Fr= 1--       8.173                211.666                 28.699
 CID1   Fr= 1--       1.094                 10.164                  3.393
 Raman2 Fr= 1--       3.143                  7.736                  3.543
 ROA2   Fr= 1--       1.894                 20.239                  4.650
 CID2   Fr= 1--       0.603                  2.616                  1.313
 Raman3 Fr= 1--       6.286                 15.473                  7.086
 ROA3   Fr= 1--       8.173                211.666                 28.699
 CID3   Fr= 1--       1.300                 13.680                  4.050
 RC180  Fr= 1--       0.683                  0.486                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.06  -0.03   0.17     0.02  -0.01   0.04
     2   6     0.00  -0.00   0.00    -0.16  -0.05  -0.09    -0.02   0.01  -0.03
     3   1    -0.00   0.00  -0.01     0.05   0.01   0.12     0.02  -0.00   0.04
     4   1     0.00   0.01  -0.01    -0.24  -0.14   0.11     0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.07  -0.16    -0.02  -0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.03   0.00  -0.00    -0.00   0.02  -0.09
     7   1     0.01   0.01  -0.01    -0.00  -0.11   0.23     0.00  -0.01   0.01
     8   1     0.00  -0.01  -0.00     0.45   0.56  -0.28     0.02   0.01  -0.01
     9   1    -0.00  -0.00   0.00    -0.02  -0.01   0.24    -0.02  -0.03   0.03
    10   6    -0.00   0.01  -0.08     0.02   0.03  -0.01     0.00  -0.02   0.10
    11   6    -0.00   0.01  -0.07     0.05   0.05   0.01     0.00   0.01  -0.01
    12   6    -0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.00   0.02  -0.10
    13   6     0.00  -0.01   0.07     0.03  -0.05  -0.01     0.00  -0.00  -0.01
    14   6     0.00  -0.01   0.08     0.00  -0.03  -0.02     0.00  -0.02   0.11
    15   1     0.02  -0.09   0.51     0.02   0.02   0.10    -0.02   0.10  -0.54
    16   1     0.01  -0.09   0.46     0.11   0.01  -0.01     0.01  -0.00   0.01
    17   1    -0.00  -0.00   0.01    -0.02   0.01  -0.12     0.01  -0.11   0.58
    18   1    -0.01   0.09  -0.47     0.09  -0.02  -0.04     0.01  -0.01   0.01
    19   1    -0.02   0.09  -0.50     0.01  -0.06   0.08    -0.02   0.10  -0.54
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.2954               977.1083              1015.6811
 Red. masses --      1.3609                 1.2368                 1.9464
 Frc consts  --      0.7410                 0.6957                 1.1831
 IR Inten    --      0.0291                 0.5451                33.5969
 RamAct Fr= 1--      0.1436                 0.0926                32.0536
  Dep-P Fr= 1--      0.2445                 0.5171                 0.0880
  Dep-U Fr= 1--      0.3930                 0.6817                 0.1618
 Alpha2 Fr= 1--      0.0017                 0.0004                 0.5778
 Beta2  Fr= 1--      0.0094                 0.0105                 0.8646
 AlphaG Fr= 1--     -0.0156                 0.0040                -0.1636
 Gamma2 Fr= 1--     -0.3519                 0.1158                 0.1425
 Delta2 Fr= 1--      0.0887                 0.0377                 0.8104
 Raman1 Fr= 1--       0.574                  0.370                128.215
 ROA1   Fr= 1--     -30.945                 12.321                 39.611
 CID1   Fr= 1--     -53.886                 33.255                  0.309
 Raman2 Fr= 1--       0.113                  0.126                 10.375
 ROA2   Fr= 1--      -9.155                  2.476                 -3.063
 CID2   Fr= 1--     -81.139                 19.610                 -0.295
 Raman3 Fr= 1--       0.226                  0.253                 20.750
 ROA3   Fr= 1--     -30.945                 12.321                 39.611
 CID3   Fr= 1--    -137.122                 48.785                  1.909
 RC180  Fr= 1--      -0.214                  0.363                 -0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03   0.01  -0.09
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.04   0.01   0.14
     3   1    -0.01   0.01  -0.01     0.00  -0.01   0.01     0.12  -0.14   0.21
     4   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.34  -0.13   0.31
     5   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.12  -0.02  -0.05
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.05   0.03  -0.01
     7   1     0.01   0.01  -0.00    -0.01  -0.00   0.01    -0.32  -0.14   0.15
     8   1     0.01  -0.01  -0.00    -0.00   0.01  -0.00    -0.13   0.16   0.05
     9   1    -0.01  -0.01   0.01     0.01   0.02  -0.01     0.24   0.51  -0.21
    10   6    -0.00   0.01  -0.08     0.00   0.01  -0.04    -0.03   0.06   0.02
    11   6     0.00  -0.02   0.09     0.00  -0.01   0.08     0.02   0.02   0.00
    12   6    -0.00  -0.00   0.01    -0.00   0.02  -0.08     0.09   0.00  -0.00
    13   6    -0.00   0.02  -0.09     0.00  -0.01   0.07     0.03  -0.05  -0.01
    14   6     0.00  -0.01   0.09    -0.00   0.00  -0.03    -0.07  -0.11  -0.00
    15   1     0.02  -0.08   0.44     0.01  -0.05   0.29    -0.00   0.08  -0.03
    16   1    -0.02   0.09  -0.47    -0.02   0.11  -0.53    -0.01   0.04   0.02
    17   1    -0.01   0.01  -0.04     0.02  -0.10   0.54     0.10   0.05   0.00
    18   1     0.02  -0.10   0.54    -0.01   0.09  -0.46     0.09  -0.04   0.03
    19   1    -0.01   0.09  -0.48     0.01  -0.05   0.25    -0.07  -0.09  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1027.9852              1054.3369              1077.6338
 Red. masses --      4.3642                 2.2617                 2.6523
 Frc consts  --      2.7173                 1.4813                 1.8147
 IR Inten    --      7.4611                10.7694                26.4820
 RamAct Fr= 1--     30.1929                24.4990                 5.8498
  Dep-P Fr= 1--      0.0525                 0.0423                 0.7274
  Dep-U Fr= 1--      0.0997                 0.0811                 0.8422
 Alpha2 Fr= 1--      0.5929                 0.4929                 0.0023
 Beta2  Fr= 1--      0.5018                 0.3313                 0.8211
 AlphaG Fr= 1--      0.0558                 0.0191                 0.0147
 Gamma2 Fr= 1--     -0.1173                 0.4244                -0.0936
 Delta2 Fr= 1--      0.2976                 0.0961                -1.9724
 Raman1 Fr= 1--     120.771                 97.996                 23.399
 ROA1   Fr= 1--      -1.741                 43.821                -72.099
 CID1   Fr= 1--      -0.014                  0.447                 -3.081
 Raman2 Fr= 1--       6.022                  3.975                  9.854
 ROA2   Fr= 1--      -5.197                  9.418                 13.534
 CID2   Fr= 1--      -0.863                  2.369                  1.373
 Raman3 Fr= 1--      12.043                  7.950                 19.707
 ROA3   Fr= 1--      -1.741                 43.821                -72.099
 CID3   Fr= 1--      -0.145                  5.512                 -3.659
 RC180  Fr= 1--      -0.801                 -0.838                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.01   0.06     0.02  -0.00   0.02    -0.02   0.01  -0.09
     2   6     0.04  -0.02  -0.09    -0.00  -0.02  -0.03    -0.04  -0.19   0.19
     3   1    -0.11   0.11  -0.18    -0.07   0.06  -0.12    -0.02  -0.01  -0.07
     4   1     0.18   0.08  -0.23     0.04   0.02  -0.11     0.13  -0.15   0.17
     5   6    -0.06   0.02   0.04     0.01   0.02   0.03     0.01   0.15  -0.03
     6   6     0.04  -0.02   0.01    -0.04  -0.00   0.00    -0.04  -0.05  -0.06
     7   1     0.21   0.12  -0.13     0.05   0.08  -0.11     0.37   0.29  -0.26
     8   1     0.05  -0.15  -0.01    -0.07  -0.13   0.05     0.19   0.00  -0.11
     9   1    -0.15  -0.32   0.10     0.00  -0.03  -0.08    -0.06  -0.15   0.03
    10   6    -0.11   0.30   0.05    -0.06  -0.05  -0.01    -0.05   0.06   0.03
    11   6    -0.03  -0.05  -0.01     0.07   0.19   0.04     0.07   0.04   0.01
    12   6     0.28  -0.05  -0.02     0.13  -0.02  -0.01    -0.03  -0.06  -0.01
    13   6    -0.03   0.08   0.02     0.00  -0.19  -0.04    -0.03   0.05   0.01
    14   6    -0.17  -0.22  -0.04    -0.03   0.08   0.01     0.08   0.04   0.02
    15   1    -0.09   0.31   0.10    -0.38  -0.17  -0.01    -0.22   0.02  -0.06
    16   1     0.03  -0.08  -0.03    -0.20   0.40   0.08     0.25  -0.09  -0.03
    17   1     0.29  -0.10  -0.02     0.14  -0.06  -0.02    -0.07  -0.39  -0.06
    18   1    -0.05   0.06   0.01    -0.36  -0.34  -0.06    -0.17   0.00   0.00
    19   1    -0.10  -0.29  -0.02    -0.27   0.25   0.07     0.29  -0.11  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1090.3171              1121.3604              1185.8674
 Red. masses --      1.7098                 1.6908                 1.1182
 Frc consts  --      1.1976                 1.2527                 0.9265
 IR Inten    --     54.8284                 2.7275                 0.0557
 RamAct Fr= 1--      1.3454                 1.5986                 3.4649
  Dep-P Fr= 1--      0.6220                 0.7101                 0.7422
  Dep-U Fr= 1--      0.7669                 0.8305                 0.8520
 Alpha2 Fr= 1--      0.0031                 0.0011                 0.0005
 Beta2  Fr= 1--      0.1720                 0.2213                 0.4920
 AlphaG Fr= 1--      0.0088                 0.0074                 0.0015
 Gamma2 Fr= 1--     -0.3735                 2.0594                 0.2016
 Delta2 Fr= 1--     -0.3694                 0.7295                -0.0595
 Raman1 Fr= 1--       5.382                  6.395                 13.859
 ROA1   Fr= 1--     -47.678                221.047                 17.453
 CID1   Fr= 1--      -8.859                 34.568                  1.259
 Raman2 Fr= 1--       2.064                  2.655                  5.904
 ROA2   Fr= 1--      -6.009                 43.590                  5.315
 CID2   Fr= 1--      -2.912                 16.416                  0.900
 Raman3 Fr= 1--       4.127                  5.311                 11.809
 ROA3   Fr= 1--     -47.678                221.047                 17.453
 CID3   Fr= 1--     -11.552                 41.624                  1.478
 RC180  Fr= 1--       0.534                  0.661                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.05  -0.00  -0.06     0.01  -0.00  -0.02     0.00  -0.00  -0.00
     2   6     0.10   0.05   0.09    -0.02  -0.12   0.08     0.01   0.00   0.00
     3   1     0.16  -0.15   0.27    -0.11   0.07  -0.20    -0.01   0.01  -0.02
     4   1     0.26   0.00   0.25    -0.01  -0.08  -0.01    -0.01   0.00  -0.00
     5   6    -0.10  -0.04  -0.08    -0.01   0.08  -0.01    -0.00  -0.00  -0.00
     6   6     0.10  -0.02  -0.01     0.00   0.04  -0.02    -0.00   0.00  -0.00
     7   1     0.04  -0.18   0.28     0.22   0.18  -0.16     0.01  -0.00   0.00
     8   1     0.31   0.31  -0.19     0.10  -0.04  -0.05     0.01   0.01  -0.00
     9   1    -0.14  -0.22   0.36    -0.06  -0.15   0.01    -0.00   0.00   0.01
    10   6    -0.00  -0.01  -0.00     0.09  -0.04  -0.00    -0.01  -0.01  -0.00
    11   6    -0.04   0.00   0.00    -0.05  -0.04  -0.01     0.04  -0.03  -0.01
    12   6     0.05  -0.00  -0.00     0.01   0.07   0.01     0.01   0.07   0.01
    13   6    -0.03   0.00   0.00     0.04  -0.05  -0.01    -0.04  -0.02  -0.00
    14   6    -0.02   0.02   0.01    -0.10  -0.01   0.00     0.01  -0.01  -0.00
    15   1    -0.11  -0.06  -0.02     0.45   0.11  -0.03    -0.18  -0.08  -0.01
    16   1    -0.19   0.11   0.03    -0.21   0.08   0.02     0.40  -0.30  -0.07
    17   1     0.06   0.03   0.00     0.07   0.48   0.10     0.09   0.65   0.13
    18   1    -0.17  -0.06  -0.00     0.22   0.01  -0.01    -0.44  -0.17  -0.02
    19   1    -0.17   0.15   0.01    -0.37   0.19   0.04     0.13  -0.10  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1208.6295              1229.9690              1254.8482
 Red. masses --      1.1338                 1.9998                 1.6801
 Frc consts  --      0.9759                 1.7824                 1.5587
 IR Inten    --      0.1525                19.0416                 9.7728
 RamAct Fr= 1--      4.6458                21.0127                16.5689
  Dep-P Fr= 1--      0.5554                 0.0998                 0.0606
  Dep-U Fr= 1--      0.7142                 0.1815                 0.1143
 Alpha2 Fr= 1--      0.0172                 0.3681                 0.3191
 Beta2  Fr= 1--      0.5530                 0.6355                 0.3158
 AlphaG Fr= 1--      0.0097                -0.0315                 0.0476
 Gamma2 Fr= 1--     -0.0511                -1.2692                -2.6916
 Delta2 Fr= 1--      0.0334                -0.5136                 0.3674
 Raman1 Fr= 1--      18.583                 84.051                 66.275
 ROA1   Fr= 1--      -3.841               -138.277               -246.633
 CID1   Fr= 1--      -0.207                 -1.645                 -3.721
 Raman2 Fr= 1--       6.636                  7.626                  3.789
 ROA2   Fr= 1--      -1.495                -26.351                -67.537
 CID2   Fr= 1--      -0.225                 -3.455                -17.824
 Raman3 Fr= 1--      13.271                 15.253                  7.578
 ROA3   Fr= 1--      -3.841               -138.277               -246.633
 CID3   Fr= 1--      -0.289                 -9.066                -32.545
 RC180  Fr= 1--       0.428                 -0.637                 -0.771
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.01  -0.01   0.01    -0.02   0.04  -0.00
     2   6     0.00  -0.00  -0.00    -0.09   0.01   0.04    -0.12  -0.06  -0.12
     3   1     0.00   0.00   0.00    -0.12   0.10  -0.22     0.36  -0.24   0.61
     4   1     0.01   0.00  -0.01    -0.71  -0.05  -0.08     0.25  -0.17   0.27
     5   6    -0.00  -0.00   0.00     0.02   0.03   0.01     0.05   0.04   0.05
     6   6    -0.01   0.00   0.00     0.24   0.03  -0.02     0.08  -0.09   0.01
     7   1     0.00  -0.00   0.00     0.00   0.07  -0.08    -0.04   0.11  -0.15
     8   1    -0.00   0.01   0.00    -0.03  -0.01   0.02    -0.12  -0.15   0.08
     9   1     0.01   0.03   0.01     0.01   0.02  -0.04     0.03  -0.02  -0.19
    10   6     0.05   0.02   0.00     0.01  -0.03  -0.00     0.04   0.03   0.00
    11   6    -0.03   0.03   0.01    -0.05  -0.05  -0.01    -0.04  -0.00   0.00
    12   6    -0.01   0.00   0.00     0.02   0.01   0.00     0.01  -0.01  -0.00
    13   6    -0.05  -0.02  -0.00    -0.07   0.05   0.01    -0.00   0.04   0.01
    14   6     0.05  -0.03  -0.01     0.06  -0.04  -0.01    -0.01   0.02   0.00
    15   1     0.47   0.19   0.02    -0.36  -0.19  -0.03     0.04   0.02   0.02
    16   1    -0.36   0.28   0.07    -0.28   0.11   0.03    -0.02  -0.02   0.00
    17   1    -0.01   0.01   0.00    -0.00  -0.08  -0.01     0.02   0.10   0.02
    18   1    -0.46  -0.19  -0.02    -0.20   0.00   0.01    -0.17  -0.03   0.01
    19   1     0.42  -0.31  -0.07    -0.06   0.06   0.00    -0.17   0.15   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1331.4029              1356.6980              1388.0265
 Red. masses --      2.6409                 1.8457                 1.3115
 Frc consts  --      2.7582                 2.0016                 1.4887
 IR Inten    --     15.4832                 4.6040                 4.1973
 RamAct Fr= 1--      0.6821                 0.5751                 3.2511
  Dep-P Fr= 1--      0.6298                 0.7065                 0.4077
  Dep-U Fr= 1--      0.7728                 0.8280                 0.5793
 Alpha2 Fr= 1--      0.0015                 0.0004                 0.0234
 Beta2  Fr= 1--      0.0879                 0.0794                 0.3139
 AlphaG Fr= 1--     -0.0123                 0.0007                 0.0028
 Gamma2 Fr= 1--      0.8665                 0.5265                -1.5596
 Delta2 Fr= 1--      0.2299                -0.2998                -0.6386
 Raman1 Fr= 1--       2.728                  2.301                 13.005
 ROA1   Fr= 1--      90.542                 40.947               -170.161
 CID1   Fr= 1--      33.184                 17.799                -13.085
 Raman2 Fr= 1--       1.054                  0.952                  3.767
 ROA2   Fr= 1--      18.957                 15.033                -32.322
 CID2   Fr= 1--      17.979                 15.784                 -8.581
 Raman3 Fr= 1--       2.109                  1.905                  7.533
 ROA3   Fr= 1--      90.542                 40.947               -170.161
 CID3   Fr= 1--      42.937                 21.496                -22.587
 RC180  Fr= 1--       0.546                  0.656                  0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02  -0.01     0.01  -0.00   0.00     0.00  -0.02  -0.00
     2   6     0.09  -0.06  -0.10    -0.06   0.01   0.03     0.09   0.05  -0.05
     3   1     0.20  -0.14   0.34    -0.03   0.03  -0.06    -0.08   0.03  -0.12
     4   1    -0.11  -0.32   0.38     0.25   0.14  -0.14    -0.49  -0.31   0.51
     5   6    -0.04   0.06   0.04     0.03  -0.01  -0.02    -0.01   0.06   0.01
     6   6    -0.02   0.22   0.05     0.02  -0.01  -0.00    -0.03  -0.06  -0.01
     7   1     0.15   0.11  -0.05    -0.11  -0.05   0.03     0.01   0.01   0.09
     8   1     0.07  -0.19  -0.01    -0.06   0.05   0.01    -0.06  -0.21   0.02
     9   1    -0.10  -0.18  -0.03     0.03   0.00   0.01    -0.08  -0.21   0.08
    10   6    -0.10  -0.06  -0.01    -0.13  -0.03  -0.00    -0.01  -0.01  -0.00
    11   6     0.11  -0.08  -0.02     0.06  -0.04  -0.01    -0.03   0.04   0.01
    12   6     0.01   0.10   0.02     0.02   0.13   0.03    -0.00   0.01   0.00
    13   6    -0.11  -0.08  -0.01    -0.07  -0.01   0.00     0.06   0.02   0.00
    14   6     0.05  -0.07  -0.01     0.13  -0.07  -0.02    -0.00  -0.00  -0.00
    15   1    -0.13  -0.08   0.00     0.48   0.22   0.03     0.24   0.09   0.02
    16   1    -0.21   0.16   0.04     0.14  -0.10  -0.02     0.21  -0.15  -0.04
    17   1    -0.01  -0.06  -0.01    -0.05  -0.32  -0.06    -0.03  -0.17  -0.03
    18   1     0.35   0.10   0.01    -0.19  -0.05  -0.00    -0.21  -0.09  -0.01
    19   1     0.20  -0.18  -0.03    -0.44   0.36   0.08    -0.14   0.10   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1409.8979              1412.3693              1489.1476
 Red. masses --      1.2629                 1.2098                 1.1291
 Frc consts  --      1.4790                 1.4219                 1.4752
 IR Inten    --     14.4930                51.3750                 2.6136
 RamAct Fr= 1--      0.4604                 3.8635                 3.3638
  Dep-P Fr= 1--      0.7292                 0.6742                 0.6763
  Dep-U Fr= 1--      0.8434                 0.8054                 0.8069
 Alpha2 Fr= 1--      0.0002                 0.0052                 0.0044
 Beta2  Fr= 1--      0.0647                 0.5186                 0.4524
 AlphaG Fr= 1--     -0.0008                -0.0074                -0.0294
 Gamma2 Fr= 1--     -0.2374                 2.1760                 1.4883
 Delta2 Fr= 1--      0.0897                 0.3496                -0.4558
 Raman1 Fr= 1--       1.841                 15.454                 13.455
 ROA1   Fr= 1--     -19.924                220.088                128.287
 CID1   Fr= 1--     -10.820                 14.242                  9.534
 Raman2 Fr= 1--       0.777                  6.223                  5.429
 ROA2   Fr= 1--      -6.416                 49.428                 39.365
 CID2   Fr= 1--      -8.262                  7.942                  7.251
 Raman3 Fr= 1--       1.553                 12.447                 10.857
 ROA3   Fr= 1--     -19.924                220.088                128.287
 CID3   Fr= 1--     -12.828                 17.682                 11.816
 RC180  Fr= 1--       0.687                  0.611                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.01  -0.00     0.03  -0.05  -0.01    -0.01   0.01   0.00
     2   6     0.02   0.03  -0.02    -0.08   0.06  -0.01     0.03  -0.03  -0.01
     3   1    -0.04   0.01  -0.06    -0.25   0.13  -0.41     0.04  -0.03   0.09
     4   1    -0.03  -0.07   0.20     0.47  -0.12   0.62    -0.06  -0.03  -0.06
     5   6    -0.08  -0.09   0.08     0.03  -0.01  -0.00     0.03  -0.03  -0.01
     6   6     0.00  -0.01   0.00     0.02   0.01   0.01     0.01   0.04   0.01
     7   1     0.28   0.19  -0.41    -0.12   0.01  -0.07    -0.11   0.18  -0.47
     8   1     0.44   0.37  -0.08    -0.17   0.08   0.07    -0.40   0.52   0.17
     9   1     0.05   0.39  -0.37     0.01  -0.06   0.08    -0.01  -0.15   0.41
    10   6    -0.01  -0.00  -0.00     0.01   0.01   0.00     0.01  -0.02  -0.00
    11   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.04   0.01   0.00
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01   0.03   0.01
    13   6     0.01   0.00  -0.00    -0.03  -0.00  -0.00     0.03  -0.01  -0.00
    14   6     0.00  -0.00  -0.00     0.01   0.00   0.00    -0.03  -0.00   0.00
    15   1     0.06   0.02   0.01    -0.11  -0.03   0.00     0.01  -0.03  -0.01
    16   1     0.05  -0.04  -0.01    -0.11   0.08   0.02     0.10  -0.09  -0.02
    17   1    -0.01  -0.06  -0.01     0.01   0.09   0.02    -0.02  -0.16  -0.03
    18   1    -0.05  -0.02  -0.00     0.09   0.04   0.00    -0.05  -0.05  -0.01
    19   1    -0.06   0.04   0.02     0.06  -0.04  -0.01     0.04  -0.06  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.2073              1497.1892              1535.4642
 Red. masses --      1.9079                 1.0551                 2.2007
 Frc consts  --      2.5064                 1.3935                 3.0570
 IR Inten    --     12.6097                 4.6448                 5.2699
 RamAct Fr= 1--      1.7103                 6.2017                 0.0261
  Dep-P Fr= 1--      0.5953                 0.6853                 0.7331
  Dep-U Fr= 1--      0.7463                 0.8133                 0.8460
 Alpha2 Fr= 1--      0.0049                 0.0071                 0.0000
 Beta2  Fr= 1--      0.2127                 0.8406                 0.0037
 AlphaG Fr= 1--      0.0133                -0.0360                 0.0001
 Gamma2 Fr= 1--     -4.4171                -1.5838                 0.3153
 Delta2 Fr= 1--      1.7557                -1.4069                -0.1123
 Raman1 Fr= 1--       6.841                 24.807                  0.104
 ROA1   Fr= 1--    -367.857               -197.063                 26.673
 CID1   Fr= 1--     -53.770                 -7.944                255.966
 Raman2 Fr= 1--       2.553                 10.087                  0.044
 ROA2   Fr= 1--    -120.056                -26.755                  8.465
 CID2   Fr= 1--     -47.029                 -2.652                192.043
 Raman3 Fr= 1--       5.106                 20.174                  0.088
 ROA3   Fr= 1--    -367.857               -197.063                 26.673
 CID3   Fr= 1--     -72.050                 -9.768                302.561
 RC180  Fr= 1--       0.493                  0.627                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.05   0.02  -0.01    -0.02  -0.00  -0.02    -0.04   0.01   0.01
     3   1     0.03  -0.02   0.05     0.01  -0.00   0.01    -0.01   0.01  -0.03
     4   1    -0.34  -0.05  -0.02     0.03  -0.03   0.05    -0.01   0.01   0.01
     5   6     0.00  -0.02   0.00    -0.03  -0.02  -0.04     0.00   0.01   0.00
     6   6    -0.02  -0.14  -0.03     0.01   0.00   0.00     0.14  -0.02  -0.01
     7   1     0.04   0.09  -0.21     0.62  -0.01   0.13    -0.05  -0.02   0.05
     8   1    -0.18   0.21   0.08    -0.28  -0.20   0.06     0.05  -0.05  -0.02
     9   1     0.00   0.00   0.21     0.12   0.52   0.42    -0.00  -0.01  -0.08
    10   6    -0.08   0.05   0.01     0.00  -0.00  -0.00    -0.08  -0.09  -0.01
    11   6     0.12  -0.00  -0.00    -0.01   0.00   0.00    -0.10   0.12   0.03
    12   6    -0.01  -0.11  -0.02     0.01   0.01   0.00     0.10  -0.02  -0.01
    13   6    -0.11   0.02   0.01    -0.00  -0.01  -0.00    -0.13  -0.09  -0.01
    14   6     0.08   0.04   0.00    -0.01   0.00  -0.00    -0.05   0.10   0.02
    15   1     0.17   0.16   0.03     0.01  -0.00   0.00     0.42   0.10   0.01
    16   1    -0.19   0.25   0.05     0.02  -0.03  -0.01     0.40  -0.25  -0.06
    17   1     0.08   0.52   0.10    -0.00  -0.04  -0.01     0.13  -0.01  -0.01
    18   1     0.29   0.20   0.03     0.00  -0.01  -0.00     0.46   0.14   0.01
    19   1    -0.08   0.18   0.03    -0.01   0.01   0.01     0.40  -0.22  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.0229              1649.5970              3036.3904
 Red. masses --      5.3991                 5.5652                 1.0354
 Frc consts  --      8.4520                 8.9226                 5.6246
 IR Inten    --      0.7558                 0.8799                12.8307
 RamAct Fr= 1--      9.8323                45.8385               194.9259
  Dep-P Fr= 1--      0.7500                 0.6234                 0.0112
  Dep-U Fr= 1--      0.8571                 0.7680                 0.0222
 Alpha2 Fr= 1--      0.0000                 0.1059                 4.2194
 Beta2  Fr= 1--      1.4046                 5.8676                 0.7219
 AlphaG Fr= 1--      0.0012                 0.0487                -0.4645
 Gamma2 Fr= 1--      0.3964                 0.7073                -1.2301
 Delta2 Fr= 1--     -0.0340                 0.6189                -2.3516
 Raman1 Fr= 1--      39.329                183.354                779.704
 ROA1   Fr= 1--      36.961                 87.701               -193.341
 CID1   Fr= 1--       0.940                  0.478                 -0.248
 Raman2 Fr= 1--      16.855                 70.411                  8.663
 ROA2   Fr= 1--       9.785                 12.023                -10.710
 CID2   Fr= 1--       0.581                  0.171                 -1.236
 Raman3 Fr= 1--      33.710                140.822                 17.325
 ROA3   Fr= 1--      36.961                 87.701               -193.341
 CID3   Fr= 1--       1.096                  0.623                -11.159
 RC180  Fr= 1--       0.714                  0.536                 -0.956
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02   0.04   0.01     0.03  -0.00  -0.01     0.00  -0.01  -0.00
     3   1    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.00  -0.00  -0.00
     4   1    -0.23  -0.01  -0.00    -0.00  -0.01   0.00    -0.01   0.06   0.03
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.04  -0.03
     6   6    -0.03  -0.29  -0.06    -0.22   0.02   0.01    -0.00   0.00  -0.00
     7   1    -0.04  -0.01   0.02    -0.00   0.00  -0.01     0.07  -0.57  -0.27
     8   1     0.02  -0.01  -0.00    -0.01   0.01   0.00     0.20  -0.02   0.57
     9   1     0.00  -0.01  -0.03    -0.00  -0.02   0.02    -0.46   0.13  -0.00
    10   6     0.11   0.17   0.03     0.31   0.05   0.00     0.00  -0.00   0.00
    11   6     0.05  -0.21  -0.04    -0.26   0.10   0.03     0.00   0.00   0.00
    12   6     0.05   0.35   0.07     0.14  -0.01  -0.01    -0.00   0.00  -0.00
    13   6    -0.09  -0.19  -0.03    -0.28  -0.04   0.00     0.00   0.00  -0.00
    14   6    -0.08   0.20   0.04     0.28  -0.12  -0.03    -0.00  -0.00  -0.00
    15   1    -0.28   0.01   0.01    -0.35  -0.21  -0.03    -0.00  -0.00  -0.00
    16   1    -0.25  -0.01   0.01     0.20  -0.26  -0.06    -0.00  -0.00  -0.00
    17   1    -0.07  -0.47  -0.09     0.15  -0.03  -0.01     0.00  -0.00  -0.00
    18   1     0.23  -0.08  -0.02     0.28   0.19   0.03     0.00  -0.00  -0.00
    19   1     0.32  -0.09  -0.02    -0.27   0.30   0.07     0.01   0.02   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3055.5256              3099.9073              3112.5349
 Red. masses --      1.0858                 1.1008                 1.1020
 Frc consts  --      5.9725                 6.2322                 6.2900
 IR Inten    --     13.0059                31.1984                26.8774
 RamAct Fr= 1--     71.5811                37.9112               130.8764
  Dep-P Fr= 1--      0.3569                 0.4835                 0.5503
  Dep-U Fr= 1--      0.5260                 0.6518                 0.7099
 Alpha2 Fr= 1--      0.6145                 0.2018                 0.4995
 Beta2  Fr= 1--      6.2755                 4.1184                15.4858
 AlphaG Fr= 1--     -0.4192                 0.2243                 0.0742
 Gamma2 Fr= 1--      2.6304                 2.0609                -2.1868
 Delta2 Fr= 1--      2.8084                 0.6669                 0.3883
 Raman1 Fr= 1--     286.325                151.645                523.506
 ROA1   Fr= 1--     342.387                219.190               -197.504
 CID1   Fr= 1--       1.196                  1.445                 -0.377
 Raman2 Fr= 1--      75.306                 49.421                185.830
 ROA2   Fr= 1--      40.663                 44.127                -55.588
 CID2   Fr= 1--       0.540                  0.893                 -0.299
 Raman3 Fr= 1--     150.612                 98.842                371.659
 ROA3   Fr= 1--     342.387                219.190               -197.504
 CID3   Fr= 1--       2.273                  2.218                 -0.531
 RC180  Fr= 1--       0.052                  0.304                  0.420
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.07  -0.03     0.00  -0.02  -0.01    -0.00   0.01   0.00
     3   1     0.01  -0.02  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   1    -0.16   0.86   0.40    -0.04   0.21   0.09     0.02  -0.08  -0.04
     5   6    -0.01   0.01   0.02    -0.01  -0.05  -0.07    -0.08   0.04  -0.02
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1     0.02  -0.13  -0.06    -0.07   0.64   0.29     0.01  -0.23  -0.12
     8   1    -0.06   0.01  -0.15     0.22  -0.05   0.62     0.12  -0.01   0.39
     9   1     0.13  -0.03   0.01    -0.08   0.01  -0.02     0.84  -0.21  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.02  -0.01     0.01  -0.01  -0.00    -0.00   0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.01     0.01   0.02   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3163.8781              3167.9597              3177.2192
 Red. masses --      1.0853                 1.0866                 1.0898
 Frc consts  --      6.4010                 6.4253                 6.4820
 IR Inten    --      4.5529                 1.3490                 7.5763
 RamAct Fr= 1--     14.6494               111.1455               121.3752
  Dep-P Fr= 1--      0.4343                 0.7369                 0.5089
  Dep-U Fr= 1--      0.6056                 0.8485                 0.6745
 Alpha2 Fr= 1--      0.0955                 0.0249                 0.5747
 Beta2  Fr= 1--      1.4786                15.7178                13.6451
 AlphaG Fr= 1--     -0.0076                 0.0194                -0.0011
 Gamma2 Fr= 1--      1.1025                -2.2367                -2.3067
 Delta2 Fr= 1--      0.2195                 0.1629                 0.6793
 Raman1 Fr= 1--      58.598                444.582                485.501
 ROA1   Fr= 1--     112.864               -209.507               -199.703
 CID1   Fr= 1--       1.926                 -0.471                 -0.411
 Raman2 Fr= 1--      17.743                188.613                163.741
 ROA2   Fr= 1--      24.704                -54.983                -60.794
 CID2   Fr= 1--       1.392                 -0.292                 -0.371
 Raman3 Fr= 1--      35.485                377.227                327.481
 ROA3   Fr= 1--     112.864               -209.507               -199.703
 CID3   Fr= 1--       3.181                 -0.555                 -0.610
 RC180  Fr= 1--       0.211                  0.697                  0.349
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   1    -0.01   0.01   0.01    -0.00   0.02   0.01     0.00  -0.01  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   1     0.00  -0.02  -0.01    -0.01   0.04   0.02    -0.00   0.03   0.01
     8   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.01
     9   1     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.02  -0.05  -0.01     0.02  -0.04  -0.01    -0.01   0.04   0.01
    11   6     0.02   0.03   0.01     0.01   0.02   0.00     0.02   0.02   0.00
    12   6    -0.03   0.00   0.00     0.01  -0.00  -0.00    -0.05   0.01   0.00
    13   6     0.01  -0.03  -0.01    -0.01   0.04   0.01     0.01  -0.01  -0.00
    14   6     0.02   0.02   0.00    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01
    15   1    -0.21   0.53   0.11    -0.21   0.52   0.10     0.16  -0.40  -0.08
    16   1    -0.29  -0.37  -0.06    -0.15  -0.20  -0.03    -0.20  -0.24  -0.04
    17   1     0.37  -0.05  -0.02    -0.12   0.02   0.01     0.62  -0.08  -0.03
    18   1    -0.15   0.37   0.08     0.17  -0.44  -0.09    -0.06   0.14   0.03
    19   1    -0.21  -0.28  -0.04     0.36   0.47   0.07     0.32   0.42   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3185.0587              3195.5923              3788.2078
 Red. masses --      1.0936                 1.0976                 1.0661
 Frc consts  --      6.5362                 6.6037                 9.0140
 IR Inten    --     30.3746                12.7331                17.7516
 RamAct Fr= 1--     25.4035               331.8690                59.5852
  Dep-P Fr= 1--      0.7500                 0.1046                 0.0961
  Dep-U Fr= 1--      0.8571                 0.1894                 0.1753
 Alpha2 Fr= 1--      0.0000                 5.7453                 1.0533
 Beta2  Fr= 1--      3.6290                10.4760                 1.7409
 AlphaG Fr= 1--      0.0001                 0.0766                -1.1386
 Gamma2 Fr= 1--      0.2412                 2.0849                 2.4437
 Delta2 Fr= 1--     -2.2661                 0.1608                -2.8075
 Raman1 Fr= 1--     101.614               1327.476                238.341
 ROA1   Fr= 1--     -49.356                205.298                144.754
 CID1   Fr= 1--      -0.486                  0.155                  0.607
 Raman2 Fr= 1--      43.548                125.711                 20.891
 ROA2   Fr= 1--      23.919                 48.752                 81.109
 CID2   Fr= 1--       0.549                  0.388                  3.883
 Raman3 Fr= 1--      87.097                251.423                 41.781
 ROA3   Fr= 1--     -49.356                205.298                144.754
 CID3   Fr= 1--      -0.567                  0.817                  3.465
 RC180  Fr= 1--       0.714                 -0.621                 -0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.05  -0.04
     2   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.33   0.76   0.56
     4   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1    -0.00   0.02   0.01     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.03  -0.01     0.01  -0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.06   0.01   0.00     0.00   0.00   0.00
    13   6     0.02  -0.05  -0.01    -0.01   0.04   0.01    -0.00   0.00  -0.00
    14   6    -0.02  -0.03  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.12   0.29   0.06    -0.07   0.17   0.03    -0.00   0.00   0.00
    16   1     0.37   0.46   0.08     0.30   0.38   0.07     0.00   0.00  -0.00
    17   1     0.02  -0.01  -0.00     0.66  -0.09  -0.04    -0.00  -0.00   0.00
    18   1    -0.22   0.54   0.11     0.17  -0.43  -0.09     0.00  -0.00   0.00
    19   1     0.26   0.33   0.05    -0.13  -0.16  -0.03    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.446801638.930051841.94092
           X            0.99974   0.01587  -0.01664
           Y           -0.01532   0.99935   0.03253
           Z            0.01714  -0.03227   0.99933
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16642     0.05285     0.04702
 Rotational constants (GHZ):           3.46768     1.10117     0.97980
 Zero-point vibrational energy     421859.0 (Joules/Mol)
                                  100.82673 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     23.78   180.34   285.20   341.41   366.91
          (Kelvin)            470.17   484.03   594.94   708.78   781.44
                              873.56   918.81  1023.96  1104.16  1135.88
                             1231.31  1301.50  1337.19  1383.09  1405.84
                             1461.34  1479.04  1516.96  1550.47  1568.72
                             1613.39  1706.20  1738.95  1769.65  1805.45
                             1915.59  1951.99  1997.06  2028.53  2032.08
                             2142.55  2148.39  2154.12  2209.19  2345.24
                             2373.40  4368.69  4396.22  4460.08  4478.24
                             4552.11  4557.99  4571.31  4582.59  4597.74
                             5450.39
 
 Zero-point correction=                           0.160678 (Hartree/Particle)
 Thermal correction to Energy=                    0.169260
 Thermal correction to Enthalpy=                  0.170204
 Thermal correction to Gibbs Free Energy=         0.126271
 Sum of electronic and zero-point Energies=           -386.114886
 Sum of electronic and thermal Energies=              -386.106303
 Sum of electronic and thermal Enthalpies=            -386.105359
 Sum of electronic and thermal Free Energies=         -386.149292
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.212             32.443             92.464
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.842
 Vibrational            104.435             26.482             23.309
 Vibration     1          0.593              1.986              7.013
 Vibration     2          0.610              1.928              3.016
 Vibration     3          0.637              1.842              2.150
 Vibration     4          0.656              1.784              1.823
 Vibration     5          0.665              1.754              1.696
 Vibration     6          0.710              1.622              1.276
 Vibration     7          0.717              1.603              1.229
 Vibration     8          0.777              1.441              0.914
 Vibration     9          0.848              1.266              0.677
 Vibration    10          0.898              1.155              0.559
 Vibration    11          0.966              1.017              0.438
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.830275D-58        -58.080778       -133.735934
 Total V=0       0.669472D+16         15.825732         36.440096
 Vib (Bot)       0.349049D-71        -71.457114       -164.536086
 Vib (Bot)    1  0.125332D+02          1.098063          2.528384
 Vib (Bot)    2  0.162837D+01          0.211753          0.487579
 Vib (Bot)    3  0.100659D+01          0.002854          0.006571
 Vib (Bot)    4  0.827331D+00         -0.082321         -0.189551
 Vib (Bot)    5  0.763495D+00         -0.117194         -0.269849
 Vib (Bot)    6  0.572897D+00         -0.241923         -0.557049
 Vib (Bot)    7  0.553192D+00         -0.257124         -0.592050
 Vib (Bot)    8  0.426736D+00         -0.369841         -0.851590
 Vib (Bot)    9  0.335805D+00         -0.473913         -1.091225
 Vib (Bot)   10  0.290845D+00         -0.536339         -1.234965
 Vib (Bot)   11  0.244120D+00         -0.612396         -1.410095
 Vib (V=0)       0.281447D+03          2.449396          5.639944
 Vib (V=0)    1  0.130432D+02          1.115384          2.568267
 Vib (V=0)    2  0.220340D+01          0.343094          0.790004
 Vib (V=0)    3  0.162393D+01          0.210569          0.484852
 Vib (V=0)    4  0.146668D+01          0.166336          0.383003
 Vib (V=0)    5  0.141265D+01          0.150034          0.345465
 Vib (V=0)    6  0.126040D+01          0.100509          0.231431
 Vib (V=0)    7  0.124567D+01          0.095403          0.219672
 Vib (V=0)    8  0.115735D+01          0.063463          0.146129
 Vib (V=0)    9  0.110230D+01          0.042300          0.097399
 Vib (V=0)   10  0.107844D+01          0.032795          0.075514
 Vib (V=0)   11  0.105641D+01          0.023833          0.054879
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448696D+06          5.651952         13.014100
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333 3333                                             11 1111111111111111111                                  
     7                11111 1100                                             66 54444433322211000009999 8 77 7 66 5 4  4 33 221 1    
     8                98766 1053                                             53 39981185353082975217620 5 86 1 30 4 9  1 32 539 2   1
     8                65784 3066                                             00 57392087150961084867195 6 97 2 97 3 3  4 67 578 5   7
 
     X                XXXXX XXXX                                             XX XXXXXXXXXXXXXXXXXXXX XX   XX X XX X X    XX XXX X   X
     X                XXX   XXXX                                                  X XX  XXX   XXXXX  XX   XX X  X X       X  XX      
     X                XX    XXXX                                                  X XX  X X   XX  X   X    X X  X            XX      
     X                 X    XX                                                      X     X   XX  X   X    X X               XX      
                       X    XX                                                      X         XX  X        X X                X      
                       X    XX                                                      X         XX  X          X                X      
                       X     X                                                      X         X   X          X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                              X                               X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000010607   -0.000003894   -0.000015466
      2        6           0.000011988   -0.000016401    0.000013738
      3        1           0.000000549    0.000004842    0.000004648
      4        1          -0.000001379    0.000001073   -0.000000397
      5        6           0.000001738    0.000014714   -0.000000918
      6        6          -0.000006534    0.000004770   -0.000007101
      7        1           0.000003652   -0.000003528   -0.000005103
      8        1          -0.000000167   -0.000002216   -0.000000850
      9        1          -0.000002074   -0.000002505    0.000001630
     10        6          -0.000001392    0.000007623    0.000006984
     11        6           0.000005481    0.000001035    0.000001684
     12        6           0.000002310    0.000001010    0.000000265
     13        6          -0.000000749   -0.000002178    0.000001306
     14        6           0.000001024   -0.000005008    0.000003343
     15        1           0.000001047    0.000000213   -0.000003368
     16        1          -0.000001346    0.000001802    0.000000536
     17        1           0.000000037   -0.000001694   -0.000000039
     18        1           0.000002046   -0.000000144   -0.000000166
     19        1          -0.000005624    0.000000486   -0.000000726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016401 RMS     0.000005420
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132934D+03  0.104697D+01 -0.135833D+01
      2   0.104697D+01  0.106272D+03  0.561285D+01
      3  -0.135833D+01  0.561285D+01  0.754709D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.367462D+00 -0.826713D+01 -0.240363D+01
      2   0.120650D+02 -0.108930D+02  0.730376D+01
      3   0.123650D+01  0.425923D+02  0.102816D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.945336D+02 -0.373209D+01  0.750490D+01
      2   0.320400D+02  0.105146D+02  0.709830D+01
      3   0.624936D+02 -0.678248D+01 -0.146032D+02
      4   0.165084D+02 -0.844585D+02 -0.274706D+02
      5  -0.173250D+02 -0.279941D+02  0.234876D+02
      6  -0.114777D+02 -0.154326D+02  0.104237D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.530615D+01 -0.100623D+01  0.235704D+01 -0.283154D+01  0.207424D+01
      2  -0.100623D+01  0.664828D+00 -0.488521D+00  0.207424D+01 -0.305985D+01
      3   0.235704D+01 -0.488521D+00  0.279524D+01 -0.138564D+01 -0.588858D-01
                 6             7             8             9            10 
      1  -0.138564D+01  0.603611D+01 -0.122034D+01  0.417659D+01 -0.419896D+01
      2  -0.588858D-01 -0.122034D+01 -0.154814D+01 -0.318564D+01  0.114256D-01
      3  -0.332430D+01  0.417659D+01 -0.318564D+01  0.257549D+01 -0.653911D+00
                11            12            13            14            15 
      1   0.114256D-01 -0.653911D+00 -0.105888D+01 -0.259497D+01  0.222739D+01
      2  -0.659585D+00  0.180242D+01 -0.259497D+01  0.397190D+01  0.349270D+01
      3   0.180242D+01 -0.275217D+01  0.222739D+01  0.349270D+01 -0.825269D-01
                16            17            18            19            20 
      1  -0.510579D+01  0.243986D+01 -0.578877D+01 -0.522488D+00  0.399820D+00
      2   0.243986D+01  0.389051D+01  0.184168D+01  0.399820D+00 -0.405493D+00
      3  -0.578877D+01  0.184168D+01 -0.179624D+01  0.777367D-01 -0.404972D+00
                21            22            23            24            25 
      1   0.777367D-01  0.230647D+01 -0.233665D-01  0.439713D+00  0.195171D+01
      2  -0.404972D+00 -0.233665D-01  0.214443D+01  0.184769D+01 -0.196449D+00
      3  -0.131705D+01  0.439713D+00  0.184769D+01  0.322746D+01  0.535287D+00
                26            27            28            29            30 
      1  -0.196449D+00  0.535287D+00  0.319196D+00 -0.115871D+01 -0.738009D+00
      2   0.192587D+01  0.128381D+01 -0.115871D+01  0.123605D+01  0.192696D+00
      3   0.128381D+01  0.451820D+01 -0.738009D+00  0.192696D+00  0.767040D+00
                31            32            33            34            35 
      1  -0.253098D+01  0.196383D+01  0.390536D+00 -0.981463D+00  0.429243D+00
      2   0.196383D+01 -0.618745D+01 -0.193113D+01  0.429243D+00 -0.232980D+01
      3   0.390536D+00 -0.193113D+01 -0.181476D+01  0.114815D+01 -0.171557D+01
                36            37            38            39            40 
      1   0.114815D+01 -0.911591D+01  0.214444D+01  0.914742D-01  0.517531D+01
      2  -0.171557D+01  0.214444D+01  0.140670D+01 -0.136855D+01  0.153446D+01
      3  -0.146878D+01  0.914742D-01 -0.136855D+01  0.347139D+01 -0.171999D+01
                41            42            43            44            45 
      1   0.153446D+01 -0.171999D+01 -0.162755D+01 -0.167377D+01  0.275798D+01
      2  -0.332176D+01 -0.313855D+01 -0.167377D+01 -0.307655D+01 -0.845736D+00
      3  -0.313855D+01  0.678542D-01  0.275798D+01 -0.845736D+00  0.523403D+01
                46            47            48            49            50 
      1   0.184462D+02 -0.207603D+01  0.129404D+01 -0.325338D+01 -0.137666D+01
      2  -0.207603D+01  0.259003D+01 -0.517129D-01 -0.137666D+01 -0.676194D+00
      3   0.129404D+01 -0.517129D-01  0.245451D+01 -0.188701D+01 -0.442168D+00
                51            52            53            54            55 
      1  -0.188701D+01 -0.536982D+00 -0.110273D+01  0.403230D+01  0.518990D+00
      2  -0.442168D+00 -0.110273D+01 -0.195359D+00 -0.502883D+00  0.482944D+00
      3  -0.131215D+00  0.403230D+01 -0.502883D+00 -0.307086D+00  0.494044D+00
                56            57            58            59            60 
      1   0.482944D+00  0.494044D+00  0.190218D+01  0.863790D+00 -0.151118D+00
      2  -0.649787D-01  0.258430D+00  0.863790D+00  0.623029D+01  0.106239D+01
      3   0.258430D+00 -0.395620D+00 -0.151118D+00  0.106239D+01  0.172464D+01
                61            62            63            64            65 
      1   0.136833D+01  0.582051D+00 -0.171722D+00  0.200180D+00 -0.854984D-01
      2   0.582051D+00  0.213690D+01  0.126079D+01 -0.854984D-01 -0.507291D+00
      3  -0.171722D+00  0.126079D+01  0.574975D+00 -0.932758D+00  0.427967D+00
                66            67            68            69            70 
      1  -0.932758D+00 -0.480891D+00 -0.368236D-01  0.133342D+00 -0.170218D+01
      2   0.427967D+00 -0.368236D-01  0.720435D+00 -0.926602D+00 -0.202423D+00
      3  -0.215881D+01  0.133342D+00 -0.926602D+00  0.485010D+00  0.120166D+00
                71            72            73            74            75 
      1  -0.202423D+00  0.120166D+00  0.136576D+02 -0.451159D+00 -0.163505D+01
      2  -0.122486D+01  0.134067D+01 -0.451159D+00  0.105125D+01 -0.346022D-01
      3   0.134067D+01 -0.905752D+01 -0.163505D+01 -0.346022D-01  0.120482D+01
                76            77            78            79            80 
      1  -0.270398D+01  0.105941D+01  0.597776D+00 -0.308726D-01  0.174101D+00
      2   0.105941D+01 -0.268168D+00  0.156334D+00  0.174101D+00  0.340715D+00
      3   0.597776D+00  0.156334D+00 -0.533116D+00  0.112697D+01  0.369059D-01
                81            82            83            84            85 
      1   0.112697D+01 -0.591774D+01  0.298211D+01 -0.197625D-01 -0.706131D+01
      2   0.369059D-01  0.298211D+01  0.300179D+01  0.306382D+00  0.262671D+00
      3  -0.784042D+00 -0.197625D-01  0.306382D+00  0.141658D+01 -0.411804D+00
                86            87            88            89            90 
      1   0.262671D+00 -0.411804D+00 -0.123507D+01 -0.617514D+00  0.109337D+01
      2  -0.172573D+01  0.817109D+00 -0.617514D+00  0.107256D+01 -0.374816D+01
      3   0.817109D+00 -0.205441D+01  0.109337D+01 -0.374816D+01 -0.240496D+01
                91            92            93            94            95 
      1   0.300399D+01 -0.664060D+00  0.200411D+00 -0.653370D+01  0.793780D+00
      2  -0.664060D+00 -0.364761D+01 -0.804994D+00  0.793780D+00 -0.549278D+00
      3   0.200411D+00 -0.804994D+00 -0.191617D+01  0.493745D+00  0.128243D+01
                96            97            98            99           100 
      1   0.493745D+00 -0.141181D+01  0.641223D+00 -0.311409D+01 -0.638990D+01
      2   0.128243D+01  0.641223D+00  0.155176D+01 -0.340383D+01  0.280708D+00
      3  -0.215499D+01 -0.311409D+01 -0.340383D+01 -0.164104D+01 -0.291905D+00
               101           102           103           104           105 
      1   0.280708D+00 -0.291905D+00  0.111458D+01  0.100345D+01  0.162344D+01
      2  -0.360042D+01 -0.291720D-01  0.100345D+01 -0.189541D+00 -0.583351D+00
      3  -0.291720D-01 -0.339750D+01  0.162344D+01 -0.583351D+00  0.302835D+00
               106           107           108           109           110 
      1   0.185814D+00  0.132666D+01 -0.556832D+01  0.491231D+01 -0.974926D+00
      2   0.132666D+01 -0.163627D+00  0.525202D+00 -0.974926D+00 -0.252752D+01
      3  -0.556832D+01  0.525202D+00  0.594925D+00 -0.171918D+00  0.378482D-02
               111           112           113           114           115 
      1  -0.171918D+00  0.566578D+01 -0.401703D+00  0.302141D+00  0.124375D+01
      2   0.378482D-02 -0.401703D+00  0.140612D+01 -0.105309D+01  0.460568D+00
      3  -0.103668D+01  0.302141D+00 -0.105309D+01  0.245267D+01 -0.183746D+01
               116           117           118           119           120 
      1   0.460568D+00 -0.183746D+01 -0.473148D+01 -0.477703D+00 -0.241919D+00
      2  -0.120005D+01  0.399467D+01 -0.477703D+00  0.409240D+01  0.587398D+00
      3   0.399467D+01  0.254819D+01 -0.241919D+00  0.587398D+00  0.212160D+01
               121           122           123           124           125 
      1   0.932145D+01  0.580295D-01  0.455517D+00  0.197678D+01 -0.800334D-02
      2   0.580295D-01  0.132337D+01 -0.583192D+00 -0.800334D-02 -0.123239D+01
      3   0.455517D+00 -0.583192D+00  0.177536D+01  0.197333D+01  0.319680D+01
               126           127           128           129           130 
      1   0.197333D+01  0.153175D+01 -0.181783D+01 -0.394114D+00 -0.151528D+01
      2   0.319680D+01 -0.181783D+01  0.230530D+01  0.464206D+00  0.206940D+01
      3   0.145560D+01 -0.394114D+00  0.464206D+00  0.244032D+00  0.461348D+00
               131           132           133           134           135 
      1   0.206940D+01  0.461348D+00 -0.400198D+00  0.495979D+00  0.536327D-03
      2  -0.883139D+01 -0.156652D+01  0.495979D+00 -0.164305D+01 -0.398431D+00
      3  -0.156652D+01 -0.106861D+01  0.536327D-03 -0.398431D+00 -0.187065D+00
               136           137           138           139           140 
      1  -0.511626D+01 -0.399008D+01 -0.660409D+00 -0.385551D+01 -0.460376D+01
      2  -0.399008D+01 -0.364563D+01 -0.509884D+00 -0.460376D+01 -0.668637D+01
      3  -0.660409D+00 -0.509884D+00 -0.572251D+00 -0.805947D+00 -0.105458D+01
               141           142           143           144           145 
      1  -0.805947D+00 -0.644375D+00 -0.747079D+00 -0.178432D+00 -0.133201D+02
      2  -0.105458D+01 -0.747079D+00 -0.124254D+01 -0.191186D+00  0.137501D+01
      3  -0.813137D+00 -0.178432D+00 -0.191186D+00 -0.146845D+00  0.613129D+00
               146           147           148           149           150 
      1   0.137501D+01  0.613129D+00  0.139573D+01 -0.171038D+01 -0.384569D+00
      2  -0.853251D+00 -0.512012D-01 -0.171038D+01  0.473088D+00  0.102837D+00
      3  -0.512012D-01 -0.781255D+00 -0.384569D+00  0.102837D+00  0.126963D+00
               151           152           153           154           155 
      1   0.494789D+00 -0.389992D+00 -0.866679D-02 -0.227215D+01  0.264781D+01
      2  -0.389992D+00  0.919835D-01  0.231189D-01  0.264781D+01 -0.285585D+01
      3  -0.866679D-02  0.231189D-01  0.861224D-01  0.577022D+00 -0.553904D+00
               156           157           158           159           160 
      1   0.577022D+00  0.230774D+01 -0.387260D+01 -0.802374D+00  0.512556D+00
      2  -0.553904D+00 -0.387260D+01  0.950953D+01  0.179981D+01 -0.806464D+00
      3  -0.411236D+00 -0.802374D+00  0.179981D+01  0.109092D+01 -0.165020D+00
               161           162           163           164           165 
      1  -0.806464D+00 -0.165020D+00  0.368867D+01  0.237797D+01  0.348642D-01
      2   0.189080D+01  0.325751D+00  0.237797D+01  0.241929D+01  0.254226D+00
      3   0.325751D+00  0.178855D+00  0.348642D-01  0.254226D+00  0.263544D+00
               166           167           168           169           170 
      1   0.263622D+01  0.293720D+01  0.423502D+00 -0.935240D-01  0.415083D+00
      2   0.293720D+01  0.571657D+01  0.776777D+00  0.415083D+00  0.955286D+00
      3   0.423502D+00  0.776777D+00  0.723351D+00 -0.132193D+00  0.162051D+00
               171 
      1  -0.132193D+00
      2   0.162051D+00
      3   0.271753D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.721497D+00  0.419751D+01  0.128638D+01  0.858009D+00 -0.600573D+01
      2   0.160848D+01  0.472142D+00  0.136252D+02  0.315364D+01 -0.264429D+01
      3  -0.101052D+01 -0.891264D+01 -0.146324D+01 -0.452132D+01  0.656151D+01
                 6             7             8             9            10 
      1  -0.822723D+01  0.288166D+01  0.131110D+00 -0.231975D+00 -0.660741D-01
      2  -0.773528D+01  0.743983D+01 -0.827301D+01  0.450659D+01 -0.559086D+00
      3   0.215167D+01 -0.366824D+01  0.342370D+01  0.567461D+01  0.550251D+01
                11            12            13            14            15 
      1   0.545576D+00  0.231694D+00  0.105903D+01  0.129596D+01 -0.318338D+01
      2   0.155320D+01 -0.515321D+01  0.165888D+01  0.651861D+01  0.820929D+00
      3   0.394939D+01 -0.945109D+00  0.135694D+02 -0.769870D+01 -0.896601D+01
                16            17            18            19            20 
      1  -0.219633D+01  0.489461D+00 -0.117940D+01  0.241849D+01 -0.207476D+01
      2  -0.165423D+02  0.557029D+01 -0.534134D+01  0.446076D+01 -0.207005D+01
      3   0.160163D-01 -0.114302D+02 -0.170265D+01 -0.272219D+01  0.236082D+01
                21            22            23            24            25 
      1  -0.814892D+00 -0.160171D+01  0.624117D+01  0.377960D+01 -0.475625D+00
      2  -0.318841D+01 -0.346665D+01  0.512219D+01  0.771764D+01 -0.176868D+01
      3   0.980388D+00  0.388331D+01 -0.487962D+01 -0.481536D+01  0.278149D+00
                26            27            28            29            30 
      1   0.482502D+01  0.477067D+01 -0.298137D-02 -0.622082D+00  0.733041D+00
      2   0.366611D+01  0.961421D+01 -0.174961D+01  0.349399D+00  0.216723D+01
      3  -0.352329D+01 -0.407206D+01  0.332601D+01 -0.337314D+01 -0.183907D+00
                31            32            33            34            35 
      1  -0.783721D-01  0.137262D+01 -0.284848D+01  0.838114D+00  0.129978D+01
      2  -0.422475D+00 -0.359696D+01 -0.400806D+01  0.122262D+00 -0.312848D+01
      3   0.137060D+01  0.125131D+02  0.409268D+01  0.866445D+00  0.532010D+01
                36            37            38            39            40 
      1  -0.743994D+00 -0.255581D+01 -0.184037D+01 -0.149198D+01  0.654667D-01
      2  -0.226565D+01 -0.788971D+01 -0.109788D+01  0.122333D+02 -0.446729D+00
      3   0.297359D+01 -0.151977D+02 -0.707879D+01  0.429979D+01 -0.936388D+00
                41            42            43            44            45 
      1   0.604218D+01  0.188708D+01  0.805043D+00  0.661076D+01 -0.533389D+01
      2  -0.699343D+01 -0.243528D+01  0.290260D+01 -0.442048D+01  0.187765D+02
      3   0.127742D+02  0.904789D+01  0.350871D+01  0.924358D+01  0.411089D+01
                46            47            48            49            50 
      1   0.725271D+00  0.238839D+00  0.464921D+00  0.968136D+00 -0.224552D+01
      2   0.259231D+01 -0.150485D+01 -0.680027D+00 -0.109400D+01 -0.835501D+00
      3  -0.180247D+01  0.541773D+01  0.935906D+00  0.178674D+02 -0.189930D+01
                51            52            53            54            55 
      1   0.156499D+01  0.109930D+01  0.106202D+02  0.198231D+01 -0.145784D+01
      2   0.356015D+00 -0.171728D+02 -0.217799D+00 -0.122220D+01  0.159487D+01
      3   0.262536D+01  0.109663D+00  0.909233D+00 -0.708043D+00 -0.368176D+01
                56            57            58            59            60 
      1  -0.175446D-01  0.387070D+00  0.136207D+00 -0.804671D+01 -0.550656D+01
      2   0.833753D+00 -0.401197D+00  0.388507D+00  0.384258D+01  0.466707D+01
      3   0.880953D+00  0.416696D+00  0.344490D+01 -0.182283D+02 -0.454160D+01
                61            62            63            64            65 
      1  -0.528554D-01 -0.200731D+01 -0.248153D+01  0.787799D+00  0.117905D+01
      2  -0.116921D+01  0.331734D+01  0.157597D+01 -0.377615D+01  0.656054D+00
      3   0.157913D+01 -0.671056D+01 -0.432546D+01  0.538549D-01  0.892214D+00
                66            67            68            69            70 
      1   0.136136D+01  0.524979D+00 -0.400555D+00 -0.546299D+00  0.739452D+00
      2  -0.586020D+01 -0.831172D-01 -0.212457D+01  0.159474D+01 -0.473362D+01
      3  -0.157591D+01  0.145625D+01 -0.189445D+01  0.210791D+01 -0.136983D+01
                71            72            73            74            75 
      1   0.289671D+01  0.531817D+01  0.149439D+01 -0.170781D+01 -0.592438D+00
      2   0.319822D+01 -0.232383D+02  0.815227D+01 -0.634444D+00  0.510615D+01
      3   0.283386D+01 -0.429673D+01  0.965526D+01 -0.708197D+01 -0.801494D+00
                76            77            78            79            80 
      1  -0.123560D+01  0.133484D+00 -0.782369D+00 -0.664132D+00  0.212886D+00
      2  -0.689341D+00  0.146281D+01 -0.129333D+01  0.139438D+01  0.166066D+00
      3  -0.340636D+01  0.103490D+01 -0.731911D+00 -0.856174D+00 -0.790807D+00
                81            82            83            84            85 
      1   0.166213D+00 -0.105443D+01 -0.104249D+01  0.218216D+01 -0.133363D+01
      2  -0.142359D+01 -0.322018D+01  0.142587D+01 -0.160010D+01  0.121288D+01
      3   0.313917D+00  0.483638D+01 -0.371985D+01 -0.155262D+01  0.355644D+01
                86            87            88            89            90 
      1   0.437036D+00 -0.308845D+01  0.443800D+01  0.752711D+00 -0.667154D+00
      2   0.104521D+01  0.152799D+01 -0.129301D+02  0.174461D+01  0.224347D+01
      3  -0.592668D+01 -0.881719D+00 -0.175824D+01  0.953910D-01 -0.523741D+01
                91            92            93            94            95 
      1   0.590165D-01  0.469061D+00 -0.286013D+01  0.117575D+01  0.459456D-01
      2   0.132587D+01  0.154029D+01  0.255479D+01 -0.122822D+01 -0.312113D+01
      3  -0.314002D+01 -0.108068D+02 -0.189354D+01  0.657296D+01 -0.111940D+01
                96            97            98            99           100 
      1  -0.240026D+01 -0.693483D+01  0.387437D+01  0.871197D+00  0.621767D-01
      2   0.669741D+01 -0.359609D+01  0.996476D+01  0.434396D+01 -0.112595D+01
      3   0.241831D+01  0.919383D+00  0.300723D+01 -0.436741D+01  0.271981D+01
               101           102           103           104           105 
      1   0.143392D+00  0.125025D+01 -0.149011D+00 -0.338283D+01  0.284874D+01
      2  -0.586138D+00  0.897942D+01 -0.462072D+01 -0.772290D-01 -0.158063D+01
      3  -0.726207D+01  0.401212D+00  0.128662D+02  0.176571D+01 -0.633774D+00
               106           107           108           109           110 
      1   0.234209D+01  0.113752D+02  0.288129D+01  0.930775D+00 -0.149830D+00
      2   0.807957D+01 -0.229255D+01 -0.177982D+01  0.231555D+01  0.297311D+01
      3   0.401318D+01 -0.644378D+00  0.854290D+00 -0.377443D+01 -0.138428D+02
               111           112           113           114           115 
      1   0.239738D+01 -0.967229D+00  0.617155D+00 -0.400509D+01  0.499825D+01
      2   0.456927D+00  0.142027D+01  0.319690D+01 -0.600078D+01 -0.847938D+01
      3  -0.268014D+01  0.400182D+01  0.969379D+00 -0.220885D+01 -0.219337D+00
               116           117           118           119           120 
      1   0.731093D+00 -0.127707D+01 -0.155488D+01 -0.326047D-01 -0.396467D+01
      2  -0.938128D+01 -0.412256D+01 -0.212270D+01  0.212288D+00 -0.198121D+01
      3  -0.243622D+01  0.498546D+01  0.196551D+00  0.730945D+00  0.973389D+00
               121           122           123           124           125 
      1   0.726637D+00 -0.517859D+00 -0.197840D+01 -0.727931D+01  0.299352D+01
      2   0.366530D+01 -0.951330D+00 -0.776581D+00 -0.122954D+02 -0.506657D+00
      3   0.799495D+00  0.584515D+01 -0.335702D+00 -0.187373D+01  0.215889D+00
               126           127           128           129           130 
      1  -0.114974D+00  0.377060D-01 -0.240566D+00  0.141913D+01  0.760164D-02
      2  -0.739231D+00  0.126807D+01 -0.923194D+00  0.261051D+00 -0.123314D+01
      3   0.592213D+01 -0.600547D+01  0.375243D+01  0.998317D+00  0.698509D+01
               131           132           133           134           135 
      1   0.731616D+00 -0.409388D+01 -0.454923D+00  0.221227D+01 -0.263636D+00
      2   0.189981D+01 -0.358755D+00 -0.176734D+01  0.464154D+00 -0.183174D+00
      3  -0.884600D+01 -0.202765D+01  0.124128D+01 -0.155141D+01 -0.245176D+00
               136           137           138           139           140 
      1   0.208824D+00  0.553452D+00 -0.219641D+01 -0.102384D+00  0.424991D+00
      2  -0.957043D-01  0.960307D-01  0.281136D+01  0.733275D+00  0.141935D+01
      3  -0.154960D+01 -0.501020D+01 -0.304013D+00 -0.368123D+01 -0.110965D+02
               141           142           143           144           145 
      1  -0.322693D+01  0.860965D+00  0.166300D+01 -0.386989D+00 -0.107977D+00
      2   0.325683D+01 -0.895915D+00 -0.474060D+00  0.381225D+00 -0.923842D+00
      3  -0.141038D+01 -0.755710D+00 -0.217475D+01 -0.192218D+00  0.587747D+00
               146           147           148           149           150 
      1  -0.214521D+00  0.633101D+00  0.573373D-01 -0.562454D-02 -0.480353D+00
      2  -0.209946D-01  0.590937D+01  0.145931D+01 -0.311885D+00 -0.856003D+00
      3  -0.532661D+01  0.110276D+00 -0.378247D+01  0.145214D+01  0.249102D+00
               151           152           153           154           155 
      1  -0.393076D+00  0.487772D+00 -0.568948D-02 -0.194154D+00 -0.116376D+00
      2  -0.285852D+01  0.191451D+00 -0.288463D+00 -0.322227D+00  0.443459D+00
      3  -0.154823D+01  0.529581D+00 -0.651797D-01  0.740760D+00 -0.261900D+01
               156           157           158           159           160 
      1   0.160001D+01  0.287320D+00  0.282688D+00 -0.435983D+01 -0.594317D+00
      2   0.150968D+01  0.527521D+00 -0.256857D+01 -0.298194D+01 -0.525836D+00
      3  -0.289845D+00 -0.136970D+01  0.138148D+02  0.232850D+01 -0.301476D+00
               161           162           163           164           165 
      1   0.200723D+01 -0.503629D+00  0.991198D+00  0.732075D+00 -0.202600D+01
      2   0.137194D+00 -0.480115D+00 -0.221302D+01 -0.911460D+00  0.984475D+00
      3   0.279453D+01  0.460975D+00  0.107409D+02  0.391396D+01 -0.231224D+00
               166           167           168           169           170 
      1   0.281457D+00  0.173396D+00 -0.308756D+01  0.566924D+00  0.195968D+01
      2  -0.935194D+00 -0.128258D+01  0.138803D+01 -0.166379D+01 -0.251382D+00
      3   0.778402D+01  0.538358D+01  0.851726D+00 -0.180987D+00  0.888510D+00
               171 
      1   0.516653D-02
      2   0.322341D+00
      3  -0.835132D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.206261D+02 -0.321194D+01  0.209377D+01 -0.383287D+01  0.485379D+01
      2  -0.143429D+02 -0.247751D+00 -0.729062D+01  0.132480D+01  0.423018D+01
      3  -0.628320D+01  0.345969D+01  0.519685D+01  0.250807D+01 -0.908397D+01
      4  -0.537532D+01  0.147473D+02 -0.296266D+01  0.167952D+02 -0.157869D+02
      5   0.156322D+02 -0.353514D+01  0.235549D+02 -0.896889D+01  0.251633D+01
      6  -0.450864D+01  0.535534D+01 -0.117043D+01  0.504593D+01 -0.106885D+02
                 6             7             8             9            10 
      1   0.849594D+01  0.338848D+01  0.540223D+01  0.925047D+00  0.736822D+01
      2   0.477468D+01 -0.135067D+02  0.389531D+01 -0.121435D+02 -0.302374D+01
      3  -0.132706D+02  0.101183D+02 -0.929754D+01  0.112184D+02 -0.434448D+01
      4   0.507359D+00 -0.649000D+01 -0.325123D+01 -0.147581D+02 -0.328819D+01
      5  -0.133788D+02  0.320389D+02 -0.126299D+02  0.205963D+02 -0.555005D+01
      6   0.295448D+01 -0.482256D+01  0.721285D+01 -0.138785D+02  0.473119D+01
                11            12            13            14            15 
      1  -0.307825D+01  0.728396D+00 -0.121983D+02  0.952510D-01  0.633691D+01
      2   0.112749D+01  0.134376D+01  0.890177D+01 -0.583182D+01 -0.117610D+02
      3   0.195077D+01 -0.207216D+01  0.329648D+01  0.573657D+01  0.542409D+01
      4  -0.154222D+02  0.737013D+01 -0.149042D+02  0.182200D+02  0.174389D+02
      5   0.761973D+01 -0.199847D+02  0.157963D+02  0.167836D+02 -0.129764D+01
      6   0.246868D+01  0.193186D-01  0.679072D+01 -0.509483D+01 -0.582273D+01
                16            17            18            19            20 
      1  -0.137597D+01  0.591744D+01 -0.765950D+01 -0.688802D+00  0.216075D+01
      2   0.102810D+02 -0.571149D+01  0.806700D+01  0.313470D-01  0.310227D+00
      3  -0.890503D+01 -0.205950D+00 -0.407497D+00  0.657455D+00 -0.247097D+01
      4   0.152092D+02  0.181053D+02  0.701706D+01  0.157786D+01 -0.343717D+01
      5  -0.392556D+02  0.618110D+01 -0.947103D+01  0.957421D+00 -0.490656D+00
      6   0.400735D+01 -0.118143D+02  0.623932D+01  0.147426D+01 -0.191610D+01
                21            22            23            24            25 
      1   0.600189D+01  0.483343D+01 -0.634912D+01 -0.648941D+01  0.459777D+01
      2   0.724560D+00 -0.316417D+01 -0.628889D+00 -0.415043D+01 -0.297770D+01
      3  -0.672645D+01 -0.166926D+01  0.697801D+01  0.106398D+02 -0.162007D+01
      4  -0.174663D+01 -0.873278D-01  0.907346D+01  0.774257D+01 -0.142250D+01
      5  -0.323855D+01  0.388535D+01  0.598561D+01  0.114936D+02  0.566032D+01
      6  -0.122155D+01 -0.412088D+00  0.713813D+01  0.833160D+01 -0.950616D+00
                26            27            28            29            30 
      1  -0.390976D+01 -0.939603D+01  0.289070D+01 -0.327852D+01 -0.173224D+01
      2  -0.285438D+01 -0.693689D+01  0.154908D+01  0.364743D+00  0.446851D+00
      3   0.676414D+01  0.163329D+02 -0.443979D+01  0.291378D+01  0.128539D+01
      4   0.698936D+01  0.557653D+01 -0.754397D+01  0.116535D+02  0.225729D+01
      5   0.424586D+01  0.142519D+02 -0.375602D+01  0.213274D+01  0.611226D+01
      6   0.632526D+01  0.470930D+01  0.277579D+01 -0.200176D+01 -0.628845D+00
                31            32            33            34            35 
      1  -0.215330D+01 -0.982791D+01 -0.304786D+01 -0.129282D+01 -0.410866D+01
      2  -0.222087D+01  0.192459D+02  0.539681D+01 -0.929650D-01  0.341400D+01
      3   0.437417D+01 -0.941799D+01 -0.234895D+01  0.138578D+01  0.694661D+00
      4   0.129738D+02 -0.279775D+02 -0.887180D+01  0.304517D+01 -0.106859D+02
      5   0.296881D+01 -0.795308D+01 -0.772936D+01  0.726957D+01 -0.669517D+01
      6  -0.324020D+01  0.108028D+02  0.770177D+01 -0.268945D+01  0.952968D+01
                36            37            38            39            40 
      1  -0.354158D+01 -0.567575D+02  0.746357D+01  0.113155D+02  0.194390D+02
      2   0.113365D+01  0.336472D+02 -0.260434D+01  0.111531D+01 -0.118046D+02
      3   0.240793D+01  0.231103D+02 -0.485922D+01 -0.124308D+02 -0.763438D+01
      4  -0.760376D+01  0.963907D+01  0.121056D+02 -0.590312D+01  0.115134D+02
      5  -0.587370D+01  0.122858D+02 -0.839347D+01  0.169252D+02 -0.146938D+02
      6   0.647254D+01 -0.571773D+01 -0.461412D+01  0.647172D+01 -0.574415D+01
                41            42            43            44            45 
      1   0.839188D+01 -0.476028D+01 -0.593242D+00 -0.322961D+01  0.262364D+02
      2  -0.159190D+02 -0.287493D+01  0.232549D+01 -0.659458D+01  0.110440D+01
      3   0.752716D+01  0.763521D+01 -0.173225D+01  0.982419D+01 -0.273408D+02
      4  -0.158714D+02 -0.179028D+02 -0.999985D+01 -0.175063D+02  0.107733D+01
      5  -0.188842D+02  0.191413D+01  0.154962D+02 -0.178162D+01  0.156513D+02
      6  -0.281030D+01  0.552456D+01  0.448119D+01  0.391457D+01  0.369055D+01
                46            47            48            49            50 
      1  -0.187311D+02  0.486057D+01  0.224876D+01  0.305457D+01 -0.585121D+01
      2   0.400052D+01 -0.373254D+01 -0.192326D+01  0.249969D+01  0.133573D+02
      3   0.147306D+02 -0.112803D+01 -0.325503D+00 -0.555426D+01 -0.750612D+01
      4  -0.157915D+01  0.550432D+01 -0.693202D+00 -0.754562D+01  0.518705D+00
      5   0.995087D+01 -0.879120D+00  0.482083D+01 -0.732877D+01 -0.199661D+01
      6  -0.384898D+01  0.809214D-01 -0.301114D+01  0.107489D+01  0.386643D+01
                51            52            53            54            55 
      1  -0.379656D+00  0.190218D+01 -0.128339D+01 -0.712713D+01  0.542330D+01
      2   0.695340D+01  0.181184D+01  0.286906D+01 -0.358510D+01 -0.542667D+00
      3  -0.657375D+01 -0.371403D+01 -0.158567D+01  0.107122D+02 -0.488063D+01
      4  -0.238391D+01 -0.433854D+01 -0.145973D+01 -0.535556D+00  0.249236D+01
      5  -0.851055D-01  0.754064D+01 -0.438448D+00  0.223815D+00  0.737817D+00
      6  -0.237537D+01 -0.128065D+01  0.618983D+01 -0.254880D+01  0.110992D+01
                56            57            58            59            60 
      1   0.316125D+01 -0.300738D+00  0.606910D+01 -0.100314D+02 -0.104726D+01
      2  -0.121484D+01 -0.341182D+00 -0.120179D+01  0.262152D+02  0.637496D+01
      3  -0.194641D+01  0.641920D+00 -0.486731D+01 -0.161838D+02 -0.532769D+01
      4   0.252389D+01  0.204891D+01  0.959346D+01  0.323418D+02  0.576272D+01
      5   0.993833D+00 -0.111795D+01 -0.183465D+01  0.660830D+01  0.889700D+01
      6   0.549802D+00 -0.117148D+01 -0.926356D+00 -0.367665D+01  0.413879D+01
                61            62            63            64            65 
      1   0.429760D+01 -0.283517D+00 -0.467080D+01 -0.124655D+00  0.984341D+00
      2  -0.179429D+01  0.587087D+01  0.326616D+01 -0.327995D+01 -0.456573D+00
      3  -0.250331D+01 -0.558735D+01  0.140464D+01  0.340461D+01 -0.527768D+00
      4   0.530919D+01  0.117237D+02  0.568600D+01 -0.130274D+01 -0.147432D+01
      5   0.262704D-01  0.633140D+01  0.390107D+01 -0.168828D+01  0.110199D+01
      6   0.809329D-01  0.372533D+01  0.251996D+01 -0.837101D+00  0.240705D+01
                66            67            68            69            70 
      1  -0.111102D+02 -0.137156D+01 -0.518542D+01  0.289855D+01 -0.870963D+01
      2  -0.793211D+00  0.108948D+01  0.212281D+01 -0.137014D+01  0.443474D+01
      3   0.119034D+02  0.282080D+00  0.306261D+01 -0.152841D+01  0.427490D+01
      4  -0.415504D+00  0.121900D+01  0.306679D+01 -0.331590D+01 -0.336422D+01
      5  -0.287161D+01  0.859963D+00 -0.259989D+01  0.197310D+01  0.780878D+01
      6  -0.293985D+01  0.417857D+00 -0.234834D+01  0.804523D+01 -0.871142D-01
                71            72            73            74            75 
      1   0.400200D+01 -0.277989D+02  0.899379D+02 -0.487256D+01 -0.761407D+01
      2  -0.290535D-01 -0.148672D+02 -0.499532D+02  0.375559D+01  0.683022D+01
      3  -0.397295D+01  0.426661D+02 -0.399847D+02  0.111697D+01  0.783849D+00
      4  -0.522828D+01  0.326755D+01  0.399188D+01  0.103651D+02 -0.465570D+00
      5   0.546971D+01 -0.356499D+02 -0.263676D+02  0.102870D+01  0.132321D+02
      6   0.758698D+01 -0.128795D+02  0.903916D+00 -0.283003D+01  0.998174D+00
                76            77            78            79            80 
      1  -0.160938D+02  0.687686D+01  0.170258D+01  0.568591D+00  0.400829D+00
      2   0.962091D+01 -0.162119D+01 -0.138051D+01  0.183622D+01  0.421528D+00
      3   0.647288D+01 -0.525566D+01 -0.322070D+00 -0.240482D+01 -0.822357D+00
      4   0.983482D+01 -0.211470D+01  0.512546D+00  0.715283D+00  0.129415D+01
      5   0.627860D+01 -0.725366D+00 -0.361834D+01  0.117739D+02 -0.408958D+00
      6  -0.255195D+01  0.128573D+01  0.849959D+00  0.458635D+00  0.101376D+01
                81            82            83            84            85 
      1   0.457973D+01  0.127868D+02  0.936466D+01  0.135782D+01 -0.199085D+01
      2  -0.522875D+01 -0.820913D+01 -0.634649D+01  0.216663D+01  0.104645D+02
      3   0.649011D+00 -0.457768D+01 -0.301817D+01 -0.352445D+01 -0.847363D+01
      4  -0.752338D-01  0.404855D+01 -0.193113D+02 -0.335097D+01  0.983268D+01
      5  -0.534069D+01 -0.364843D+01 -0.285530D+01 -0.607817D+01 -0.806473D-01
      6  -0.664271D+00 -0.689321D+00  0.544879D+00 -0.509791D+01  0.537996D+01
                86            87            88            89            90 
      1   0.798236D+01  0.390757D+01 -0.222579D+01  0.364948D+01 -0.156272D+02
      2  -0.138184D+02 -0.622188D+01  0.402258D+01 -0.964337D+01  0.149388D+01
      3   0.583608D+01  0.231431D+01 -0.179680D+01  0.599389D+01  0.141333D+02
      4   0.153894D+02  0.237445D+01 -0.645959D+00  0.204431D+01  0.699791D+01
      5   0.242885D+01  0.550989D+00  0.471133D+01  0.615156D+01  0.328778D+01
      6  -0.842496D+01  0.588133D+01 -0.179581D+01  0.147418D+02  0.404112D+01
                91            92            93            94            95 
      1  -0.146892D+01 -0.240053D+02 -0.591828D+01  0.295286D+02  0.346592D+01
      2  -0.236702D+01  0.148766D+02 -0.517092D+00 -0.281026D+02 -0.723162D+01
      3   0.383594D+01  0.912869D+01  0.643538D+01 -0.142600D+01  0.376570D+01
      4  -0.146967D+02  0.292022D+01  0.120055D+01 -0.145023D+00 -0.110246D+02
      5   0.605449D+00 -0.494512D-01  0.553935D+01 -0.579261D+01 -0.806134D+01
      6  -0.330931D+00  0.148457D+01  0.770368D+01 -0.727052D+01 -0.680171D+01
                96            97            98            99           100 
      1   0.924355D+00  0.650312D+01  0.187467D+01  0.190907D+01 -0.129393D+02
      2  -0.150459D+01 -0.919177D+01 -0.635089D+01 -0.923424D+01  0.779361D+01
      3   0.580240D+00  0.268865D+01  0.447622D+01  0.732517D+01  0.514567D+01
      4  -0.912214D+01 -0.342421D+01 -0.837136D+01  0.148047D+02  0.279323D+01
      5   0.140606D+02  0.203805D+02  0.148843D+02  0.943549D+01  0.203079D+01
      6   0.481489D+01  0.662989D+01  0.125021D+02  0.204541D+00  0.829061D+00
               101           102           103           104           105 
      1   0.564839D+01  0.330184D+01 -0.894065D+01 -0.201762D+02 -0.744226D+01
      2  -0.418638D+01 -0.949441D+00  0.799719D+01  0.178736D+02  0.972812D+01
      3  -0.146201D+01 -0.235240D+01  0.943452D+00  0.230261D+01 -0.228587D+01
      4   0.245557D+02  0.410764D+00 -0.206981D+02  0.316310D+01  0.356575D+01
      5   0.170878D+00  0.211414D+02 -0.109361D+02  0.930945D+00 -0.277598D+01
      6   0.138381D+00 -0.284392D+01  0.311755D+01  0.466121D+01 -0.527905D+01
               106           107           108           109           110 
      1   0.804362D+00 -0.710865D+01  0.146062D+02  0.851027D+01  0.211639D+02
      2   0.147798D+01  0.529221D+01 -0.174712D+02 -0.821632D+01 -0.131538D+02
      3  -0.228234D+01  0.181644D+01  0.286501D+01 -0.293946D+00 -0.801011D+01
      4  -0.119911D+02  0.173312D+01 -0.331807D+01  0.151849D+02 -0.568794D+01
      5   0.368891D+02 -0.325952D+01 -0.321518D+01  0.456330D+01 -0.590796D+00
      6  -0.217075D+01  0.662890D+01 -0.436316D+01 -0.423598D+01  0.208835D+00
               111           112           113           114           115 
      1   0.340517D+01 -0.232338D+02  0.111811D+02  0.327239D+01 -0.431088D+01
      2   0.323793D-01  0.213510D+02 -0.162168D+02 -0.669654D+01  0.664307D+01
      3  -0.343755D+01  0.188280D+01  0.503565D+01  0.342416D+01 -0.233219D+01
      4  -0.233014D+01  0.121372D+02  0.418823D+01  0.640703D+01 -0.118756D+01
      5  -0.245750D+01 -0.198588D+00  0.693935D+01 -0.128517D+02  0.139325D+02
      6  -0.540063D+01  0.481298D+01 -0.103085D+02  0.776939D+01 -0.582581D+01
               116           117           118           119           120 
      1   0.151745D+01 -0.640220D+01  0.166286D+00 -0.180780D+02 -0.380482D+01
      2  -0.856018D+01 -0.451607D+01 -0.116863D+01  0.130680D+02 -0.743580D+00
      3   0.704273D+01  0.109183D+02  0.100235D+01  0.501003D+01  0.454840D+01
      4   0.832888D+01 -0.149967D+02 -0.976680D+01 -0.136457D+02 -0.793859D+00
      5  -0.150594D+02 -0.856602D+01 -0.378401D+01 -0.156605D+01 -0.340453D+01
      6   0.157496D+02  0.367811D+01  0.201657D+01  0.302007D-01  0.853049D+01
               121           122           123           124           125 
      1   0.466038D+01  0.146380D+01  0.258416D+01  0.786696D-02  0.402599D+01
      2  -0.149300D+02 -0.486322D+01 -0.350535D+01 -0.602839D+01 -0.624477D+01
      3   0.102696D+02  0.339942D+01  0.921193D+00  0.602053D+01  0.221878D+01
      4   0.323804D+01 -0.132360D+02 -0.222082D+01  0.213360D+01 -0.138576D+01
      5   0.391737D+01 -0.213655D+01  0.252580D+01  0.189332D+01 -0.202025D+01
      6  -0.674660D+01 -0.464507D+01  0.439665D+01  0.527503D+01  0.109532D+02
               126           127           128           129           130 
      1  -0.148190D+02 -0.531058D+01  0.890239D+01  0.198721D+01  0.773574D+01
      2   0.183369D+01  0.688325D+01 -0.110033D+02 -0.166288D+01 -0.949868D+01
      3   0.129853D+02 -0.157266D+01  0.210086D+01 -0.324328D+00  0.176295D+01
      4  -0.302881D+01 -0.392810D+01  0.761181D+01  0.123930D+01  0.498866D+01
      5   0.596738D+00 -0.870313D+00  0.124224D+01  0.173440D+01  0.944867D+00
      6   0.402640D+00  0.210973D+01 -0.279098D+01 -0.204905D+01 -0.249587D+01
               131           132           133           134           135 
      1  -0.343693D+02 -0.663918D+01  0.151484D+01 -0.632525D+01 -0.235091D+01
      2   0.456115D+02  0.629663D+01 -0.204223D+01  0.785043D+01  0.307176D+01
      3  -0.112422D+02  0.342556D+00  0.527388D+00 -0.152518D+01 -0.720848D+00
      4   0.456302D+00  0.385667D+00  0.113779D+01  0.363536D-01 -0.117522D+01
      5   0.551339D+00 -0.192798D+00  0.463736D+00 -0.473541D+00 -0.459390D+00
      6   0.109041D+02  0.783210D+01 -0.585810D+00  0.359214D+01  0.226445D+01
               136           137           138           139           140 
      1   0.225761D+02  0.145266D+02  0.244646D+01  0.907254D+01  0.376976D+01
      2  -0.414530D+01  0.649619D+00 -0.802951D+00  0.663873D+01  0.166622D+02
      3  -0.184308D+02 -0.151762D+02 -0.164350D+01 -0.157113D+02 -0.204320D+02
      4   0.341208D+02  0.311146D+02  0.420708D+01  0.344111D+02  0.445714D+02
      5   0.639600D+01  0.478461D+01  0.605810D+01  0.655507D+01  0.773679D+01
      6   0.263076D+01  0.227553D+01  0.302742D+01  0.421924D+01  0.586528D+01
               141           142           143           144           145 
      1   0.679634D+00  0.129294D+01  0.154051D+00  0.319480D-01  0.101234D+03
      2   0.872160D+00  0.112214D+01  0.261992D+01  0.105567D+01 -0.566924D+02
      3  -0.155179D+01 -0.241507D+01 -0.277397D+01 -0.108761D+01 -0.445413D+02
      4   0.681262D+01  0.584729D+01  0.721447D+01  0.268146D+01 -0.157060D+02
      5   0.545980D+01  0.226268D+01  0.236152D+01  0.128441D+01 -0.503113D+01
      6   0.582334D+01  0.174011D+01  0.233318D+01  0.173077D+01 -0.204643D+01
               146           147           148           149           150 
      1  -0.946834D+01 -0.405059D+01 -0.852081D+01  0.998430D+01  0.171795D+01
      2   0.462189D+01  0.262236D+01  0.359784D+01 -0.452229D+01 -0.147264D+01
      3   0.484645D+01  0.142823D+01  0.492297D+01 -0.546201D+01 -0.245308D+00
      4   0.974618D+01  0.511325D+00  0.165680D+02 -0.476129D+01 -0.104006D+01
      5   0.308513D+00  0.919778D+01  0.329044D+01 -0.960922D+00 -0.122438D+01
      6  -0.463636D-01 -0.637308D+00 -0.471075D+00 -0.137912D+00  0.167303D+01
               151           152           153           154           155 
      1  -0.425086D+01  0.176848D+01  0.270491D+01  0.507597D+01 -0.460160D+01
      2   0.224103D+01 -0.983857D+00 -0.149287D+01  0.390239D+01 -0.554715D+01
      3   0.200984D+01 -0.784620D+00 -0.121203D+01 -0.897836D+01  0.101487D+02
      4   0.343718D+01 -0.117828D+01 -0.576558D+00 -0.188259D+02  0.239118D+02
      5   0.170343D+01 -0.363243D+00 -0.868518D+00 -0.355904D+01  0.401153D+01
      6  -0.956683D-01  0.510187D+00  0.426187D+00  0.276624D+01 -0.306627D+01
               156           157           158           159           160 
      1  -0.966397D+00  0.141071D+01 -0.166493D+02 -0.314249D+01  0.130155D+00
      2  -0.417485D+00 -0.123196D+02  0.394877D+02  0.519768D+01 -0.196282D+01
      3   0.138388D+01  0.109089D+02 -0.228384D+02 -0.205519D+01  0.183266D+01
      4   0.440937D+01  0.247201D+02 -0.480078D+02 -0.887010D+01  0.500072D+01
      5   0.425637D+01  0.447865D+01 -0.808044D+01 -0.526751D+01  0.172359D+01
      6  -0.244349D+01 -0.460847D+01  0.111201D+02  0.818286D+01 -0.180174D+01
               161           162           163           164           165 
      1  -0.292789D+01 -0.144164D+01 -0.332943D+01 -0.624593D+01 -0.120063D+01
      2   0.682215D+01  0.264911D+01  0.551129D+01  0.902102D+01  0.106518D+01
      3  -0.389425D+01 -0.120747D+01 -0.218185D+01 -0.277508D+01  0.135456D+00
      4  -0.960945D+01 -0.290210D+01  0.921126D+01  0.849068D+01  0.619784D+00
      5  -0.212530D+01 -0.149620D+01 -0.263117D+00  0.578081D+00  0.205129D+01
      6   0.365786D+01  0.252663D+01  0.867676D+00  0.172144D+01  0.186479D+01
               166           167           168           169           170 
      1  -0.816616D+01 -0.204731D+02 -0.331353D+01 -0.134317D+01 -0.327779D+01
      2   0.111523D+02  0.275429D+02  0.282737D+01  0.230639D+01  0.417521D+01
      3  -0.298619D+01 -0.706975D+01  0.486160D+00 -0.963211D+00 -0.897418D+00
      4   0.848865D+01  0.883796D+01  0.859591D+00  0.102855D+01  0.120667D+01
      5   0.858579D+00  0.917311D+00  0.154663D+01  0.614775D+00  0.676961D+00
      6   0.224983D+01  0.490580D+01  0.502802D+01  0.479806D+00  0.191906D+01
               171 
      1  -0.472305D+00
      2   0.148658D+01
      3  -0.101427D+01
      4   0.186154D+01
      5   0.353442D+00
      6   0.104095D+01
 Leave Link  716 at Thu Aug 12 19:56:32 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132934D+03  0.104697D+01 -0.135833D+01
      2   0.104697D+01  0.106272D+03  0.561285D+01
      3  -0.135833D+01  0.561285D+01  0.754709D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.367462D+00 -0.826713D+01 -0.240363D+01
      2   0.120650D+02 -0.108930D+02  0.730376D+01
      3   0.123650D+01  0.425923D+02  0.102816D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.945336D+02 -0.373209D+01  0.750490D+01
      2   0.320400D+02  0.105146D+02  0.709830D+01
      3   0.624936D+02 -0.678248D+01 -0.146032D+02
      4   0.165084D+02 -0.844585D+02 -0.274706D+02
      5  -0.173250D+02 -0.279941D+02  0.234876D+02
      6  -0.114777D+02 -0.154326D+02  0.104237D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.530615D+01 -0.100623D+01  0.235704D+01 -0.283154D+01  0.207424D+01
      2  -0.100623D+01  0.664828D+00 -0.488521D+00  0.207424D+01 -0.305985D+01
      3   0.235704D+01 -0.488521D+00  0.279524D+01 -0.138564D+01 -0.588858D-01
                 6             7             8             9            10 
      1  -0.138564D+01  0.603611D+01 -0.122034D+01  0.417659D+01 -0.419896D+01
      2  -0.588858D-01 -0.122034D+01 -0.154814D+01 -0.318564D+01  0.114256D-01
      3  -0.332430D+01  0.417659D+01 -0.318564D+01  0.257549D+01 -0.653911D+00
                11            12            13            14            15 
      1   0.114256D-01 -0.653911D+00 -0.105888D+01 -0.259497D+01  0.222739D+01
      2  -0.659585D+00  0.180242D+01 -0.259497D+01  0.397190D+01  0.349270D+01
      3   0.180242D+01 -0.275217D+01  0.222739D+01  0.349270D+01 -0.825269D-01
                16            17            18            19            20 
      1  -0.510579D+01  0.243986D+01 -0.578877D+01 -0.522488D+00  0.399820D+00
      2   0.243986D+01  0.389051D+01  0.184168D+01  0.399820D+00 -0.405493D+00
      3  -0.578877D+01  0.184168D+01 -0.179624D+01  0.777367D-01 -0.404972D+00
                21            22            23            24            25 
      1   0.777367D-01  0.230647D+01 -0.233665D-01  0.439713D+00  0.195171D+01
      2  -0.404972D+00 -0.233665D-01  0.214443D+01  0.184769D+01 -0.196449D+00
      3  -0.131705D+01  0.439713D+00  0.184769D+01  0.322746D+01  0.535287D+00
                26            27            28            29            30 
      1  -0.196449D+00  0.535287D+00  0.319196D+00 -0.115871D+01 -0.738009D+00
      2   0.192587D+01  0.128381D+01 -0.115871D+01  0.123605D+01  0.192696D+00
      3   0.128381D+01  0.451820D+01 -0.738009D+00  0.192696D+00  0.767040D+00
                31            32            33            34            35 
      1  -0.253098D+01  0.196383D+01  0.390536D+00 -0.981463D+00  0.429243D+00
      2   0.196383D+01 -0.618745D+01 -0.193113D+01  0.429243D+00 -0.232980D+01
      3   0.390536D+00 -0.193113D+01 -0.181476D+01  0.114815D+01 -0.171557D+01
                36            37            38            39            40 
      1   0.114815D+01 -0.911591D+01  0.214444D+01  0.914742D-01  0.517531D+01
      2  -0.171557D+01  0.214444D+01  0.140670D+01 -0.136855D+01  0.153446D+01
      3  -0.146878D+01  0.914742D-01 -0.136855D+01  0.347139D+01 -0.171999D+01
                41            42            43            44            45 
      1   0.153446D+01 -0.171999D+01 -0.162755D+01 -0.167377D+01  0.275798D+01
      2  -0.332176D+01 -0.313855D+01 -0.167377D+01 -0.307655D+01 -0.845736D+00
      3  -0.313855D+01  0.678542D-01  0.275798D+01 -0.845736D+00  0.523403D+01
                46            47            48            49            50 
      1   0.184462D+02 -0.207603D+01  0.129404D+01 -0.325338D+01 -0.137666D+01
      2  -0.207603D+01  0.259003D+01 -0.517129D-01 -0.137666D+01 -0.676194D+00
      3   0.129404D+01 -0.517129D-01  0.245451D+01 -0.188701D+01 -0.442168D+00
                51            52            53            54            55 
      1  -0.188701D+01 -0.536982D+00 -0.110273D+01  0.403230D+01  0.518990D+00
      2  -0.442168D+00 -0.110273D+01 -0.195359D+00 -0.502883D+00  0.482944D+00
      3  -0.131215D+00  0.403230D+01 -0.502883D+00 -0.307086D+00  0.494044D+00
                56            57            58            59            60 
      1   0.482944D+00  0.494044D+00  0.190218D+01  0.863790D+00 -0.151118D+00
      2  -0.649787D-01  0.258430D+00  0.863790D+00  0.623029D+01  0.106239D+01
      3   0.258430D+00 -0.395620D+00 -0.151118D+00  0.106239D+01  0.172464D+01
                61            62            63            64            65 
      1   0.136833D+01  0.582051D+00 -0.171722D+00  0.200180D+00 -0.854984D-01
      2   0.582051D+00  0.213690D+01  0.126079D+01 -0.854984D-01 -0.507291D+00
      3  -0.171722D+00  0.126079D+01  0.574975D+00 -0.932758D+00  0.427967D+00
                66            67            68            69            70 
      1  -0.932758D+00 -0.480891D+00 -0.368236D-01  0.133342D+00 -0.170218D+01
      2   0.427967D+00 -0.368236D-01  0.720435D+00 -0.926602D+00 -0.202423D+00
      3  -0.215881D+01  0.133342D+00 -0.926602D+00  0.485010D+00  0.120166D+00
                71            72            73            74            75 
      1  -0.202423D+00  0.120166D+00  0.136576D+02 -0.451159D+00 -0.163505D+01
      2  -0.122486D+01  0.134067D+01 -0.451159D+00  0.105125D+01 -0.346022D-01
      3   0.134067D+01 -0.905752D+01 -0.163505D+01 -0.346022D-01  0.120482D+01
                76            77            78            79            80 
      1  -0.270398D+01  0.105941D+01  0.597776D+00 -0.308726D-01  0.174101D+00
      2   0.105941D+01 -0.268168D+00  0.156334D+00  0.174101D+00  0.340715D+00
      3   0.597776D+00  0.156334D+00 -0.533116D+00  0.112697D+01  0.369059D-01
                81            82            83            84            85 
      1   0.112697D+01 -0.591774D+01  0.298211D+01 -0.197625D-01 -0.706131D+01
      2   0.369059D-01  0.298211D+01  0.300179D+01  0.306382D+00  0.262671D+00
      3  -0.784042D+00 -0.197625D-01  0.306382D+00  0.141658D+01 -0.411804D+00
                86            87            88            89            90 
      1   0.262671D+00 -0.411804D+00 -0.123507D+01 -0.617514D+00  0.109337D+01
      2  -0.172573D+01  0.817109D+00 -0.617514D+00  0.107256D+01 -0.374816D+01
      3   0.817109D+00 -0.205441D+01  0.109337D+01 -0.374816D+01 -0.240496D+01
                91            92            93            94            95 
      1   0.300399D+01 -0.664060D+00  0.200411D+00 -0.653370D+01  0.793780D+00
      2  -0.664060D+00 -0.364761D+01 -0.804994D+00  0.793780D+00 -0.549278D+00
      3   0.200411D+00 -0.804994D+00 -0.191617D+01  0.493745D+00  0.128243D+01
                96            97            98            99           100 
      1   0.493745D+00 -0.141181D+01  0.641223D+00 -0.311409D+01 -0.638990D+01
      2   0.128243D+01  0.641223D+00  0.155176D+01 -0.340383D+01  0.280708D+00
      3  -0.215499D+01 -0.311409D+01 -0.340383D+01 -0.164104D+01 -0.291905D+00
               101           102           103           104           105 
      1   0.280708D+00 -0.291905D+00  0.111458D+01  0.100345D+01  0.162344D+01
      2  -0.360042D+01 -0.291720D-01  0.100345D+01 -0.189541D+00 -0.583351D+00
      3  -0.291720D-01 -0.339750D+01  0.162344D+01 -0.583351D+00  0.302835D+00
               106           107           108           109           110 
      1   0.185814D+00  0.132666D+01 -0.556832D+01  0.491231D+01 -0.974926D+00
      2   0.132666D+01 -0.163627D+00  0.525202D+00 -0.974926D+00 -0.252752D+01
      3  -0.556832D+01  0.525202D+00  0.594925D+00 -0.171918D+00  0.378482D-02
               111           112           113           114           115 
      1  -0.171918D+00  0.566578D+01 -0.401703D+00  0.302141D+00  0.124375D+01
      2   0.378482D-02 -0.401703D+00  0.140612D+01 -0.105309D+01  0.460568D+00
      3  -0.103668D+01  0.302141D+00 -0.105309D+01  0.245267D+01 -0.183746D+01
               116           117           118           119           120 
      1   0.460568D+00 -0.183746D+01 -0.473148D+01 -0.477703D+00 -0.241919D+00
      2  -0.120005D+01  0.399467D+01 -0.477703D+00  0.409240D+01  0.587398D+00
      3   0.399467D+01  0.254819D+01 -0.241919D+00  0.587398D+00  0.212160D+01
               121           122           123           124           125 
      1   0.932145D+01  0.580295D-01  0.455517D+00  0.197678D+01 -0.800334D-02
      2   0.580295D-01  0.132337D+01 -0.583192D+00 -0.800334D-02 -0.123239D+01
      3   0.455517D+00 -0.583192D+00  0.177536D+01  0.197333D+01  0.319680D+01
               126           127           128           129           130 
      1   0.197333D+01  0.153175D+01 -0.181783D+01 -0.394114D+00 -0.151528D+01
      2   0.319680D+01 -0.181783D+01  0.230530D+01  0.464206D+00  0.206940D+01
      3   0.145560D+01 -0.394114D+00  0.464206D+00  0.244032D+00  0.461348D+00
               131           132           133           134           135 
      1   0.206940D+01  0.461348D+00 -0.400198D+00  0.495979D+00  0.536327D-03
      2  -0.883139D+01 -0.156652D+01  0.495979D+00 -0.164305D+01 -0.398431D+00
      3  -0.156652D+01 -0.106861D+01  0.536327D-03 -0.398431D+00 -0.187065D+00
               136           137           138           139           140 
      1  -0.511626D+01 -0.399008D+01 -0.660409D+00 -0.385551D+01 -0.460376D+01
      2  -0.399008D+01 -0.364563D+01 -0.509884D+00 -0.460376D+01 -0.668637D+01
      3  -0.660409D+00 -0.509884D+00 -0.572251D+00 -0.805947D+00 -0.105458D+01
               141           142           143           144           145 
      1  -0.805947D+00 -0.644375D+00 -0.747079D+00 -0.178432D+00 -0.133201D+02
      2  -0.105458D+01 -0.747079D+00 -0.124254D+01 -0.191186D+00  0.137501D+01
      3  -0.813137D+00 -0.178432D+00 -0.191186D+00 -0.146845D+00  0.613129D+00
               146           147           148           149           150 
      1   0.137501D+01  0.613129D+00  0.139573D+01 -0.171038D+01 -0.384569D+00
      2  -0.853251D+00 -0.512012D-01 -0.171038D+01  0.473088D+00  0.102837D+00
      3  -0.512012D-01 -0.781255D+00 -0.384569D+00  0.102837D+00  0.126963D+00
               151           152           153           154           155 
      1   0.494789D+00 -0.389992D+00 -0.866679D-02 -0.227215D+01  0.264781D+01
      2  -0.389992D+00  0.919835D-01  0.231189D-01  0.264781D+01 -0.285585D+01
      3  -0.866679D-02  0.231189D-01  0.861224D-01  0.577022D+00 -0.553904D+00
               156           157           158           159           160 
      1   0.577022D+00  0.230774D+01 -0.387260D+01 -0.802374D+00  0.512556D+00
      2  -0.553904D+00 -0.387260D+01  0.950953D+01  0.179981D+01 -0.806464D+00
      3  -0.411236D+00 -0.802374D+00  0.179981D+01  0.109092D+01 -0.165020D+00
               161           162           163           164           165 
      1  -0.806464D+00 -0.165020D+00  0.368867D+01  0.237797D+01  0.348642D-01
      2   0.189080D+01  0.325751D+00  0.237797D+01  0.241929D+01  0.254226D+00
      3   0.325751D+00  0.178855D+00  0.348642D-01  0.254226D+00  0.263544D+00
               166           167           168           169           170 
      1   0.263622D+01  0.293720D+01  0.423502D+00 -0.935240D-01  0.415083D+00
      2   0.293720D+01  0.571657D+01  0.776777D+00  0.415083D+00  0.955286D+00
      3   0.423502D+00  0.776777D+00  0.723351D+00 -0.132193D+00  0.162051D+00
               171 
      1  -0.132193D+00
      2   0.162051D+00
      3   0.271753D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.721497D+00  0.419751D+01  0.128638D+01  0.858009D+00 -0.600573D+01
      2   0.160848D+01  0.472142D+00  0.136252D+02  0.315364D+01 -0.264429D+01
      3  -0.101052D+01 -0.891264D+01 -0.146324D+01 -0.452132D+01  0.656151D+01
                 6             7             8             9            10 
      1  -0.822723D+01  0.288166D+01  0.131110D+00 -0.231975D+00 -0.660741D-01
      2  -0.773528D+01  0.743983D+01 -0.827301D+01  0.450659D+01 -0.559086D+00
      3   0.215167D+01 -0.366824D+01  0.342370D+01  0.567461D+01  0.550251D+01
                11            12            13            14            15 
      1   0.545576D+00  0.231694D+00  0.105903D+01  0.129596D+01 -0.318338D+01
      2   0.155320D+01 -0.515321D+01  0.165888D+01  0.651861D+01  0.820929D+00
      3   0.394939D+01 -0.945109D+00  0.135694D+02 -0.769870D+01 -0.896601D+01
                16            17            18            19            20 
      1  -0.219633D+01  0.489461D+00 -0.117940D+01  0.241849D+01 -0.207476D+01
      2  -0.165423D+02  0.557029D+01 -0.534134D+01  0.446076D+01 -0.207005D+01
      3   0.160163D-01 -0.114302D+02 -0.170265D+01 -0.272219D+01  0.236082D+01
                21            22            23            24            25 
      1  -0.814892D+00 -0.160171D+01  0.624117D+01  0.377960D+01 -0.475625D+00
      2  -0.318841D+01 -0.346665D+01  0.512219D+01  0.771764D+01 -0.176868D+01
      3   0.980388D+00  0.388331D+01 -0.487962D+01 -0.481536D+01  0.278149D+00
                26            27            28            29            30 
      1   0.482502D+01  0.477067D+01 -0.298137D-02 -0.622082D+00  0.733041D+00
      2   0.366611D+01  0.961421D+01 -0.174961D+01  0.349399D+00  0.216723D+01
      3  -0.352329D+01 -0.407206D+01  0.332601D+01 -0.337314D+01 -0.183907D+00
                31            32            33            34            35 
      1  -0.783721D-01  0.137262D+01 -0.284848D+01  0.838114D+00  0.129978D+01
      2  -0.422475D+00 -0.359696D+01 -0.400806D+01  0.122262D+00 -0.312848D+01
      3   0.137060D+01  0.125131D+02  0.409268D+01  0.866445D+00  0.532010D+01
                36            37            38            39            40 
      1  -0.743994D+00 -0.255581D+01 -0.184037D+01 -0.149198D+01  0.654667D-01
      2  -0.226565D+01 -0.788971D+01 -0.109788D+01  0.122333D+02 -0.446729D+00
      3   0.297359D+01 -0.151977D+02 -0.707879D+01  0.429979D+01 -0.936388D+00
                41            42            43            44            45 
      1   0.604218D+01  0.188708D+01  0.805043D+00  0.661076D+01 -0.533389D+01
      2  -0.699343D+01 -0.243528D+01  0.290260D+01 -0.442048D+01  0.187765D+02
      3   0.127742D+02  0.904789D+01  0.350871D+01  0.924358D+01  0.411089D+01
                46            47            48            49            50 
      1   0.725271D+00  0.238839D+00  0.464921D+00  0.968136D+00 -0.224552D+01
      2   0.259231D+01 -0.150485D+01 -0.680027D+00 -0.109400D+01 -0.835501D+00
      3  -0.180247D+01  0.541773D+01  0.935906D+00  0.178674D+02 -0.189930D+01
                51            52            53            54            55 
      1   0.156499D+01  0.109930D+01  0.106202D+02  0.198231D+01 -0.145784D+01
      2   0.356015D+00 -0.171728D+02 -0.217799D+00 -0.122220D+01  0.159487D+01
      3   0.262536D+01  0.109663D+00  0.909233D+00 -0.708043D+00 -0.368176D+01
                56            57            58            59            60 
      1  -0.175446D-01  0.387070D+00  0.136207D+00 -0.804671D+01 -0.550656D+01
      2   0.833753D+00 -0.401197D+00  0.388507D+00  0.384258D+01  0.466707D+01
      3   0.880953D+00  0.416696D+00  0.344490D+01 -0.182283D+02 -0.454160D+01
                61            62            63            64            65 
      1  -0.528554D-01 -0.200731D+01 -0.248153D+01  0.787799D+00  0.117905D+01
      2  -0.116921D+01  0.331734D+01  0.157597D+01 -0.377615D+01  0.656054D+00
      3   0.157913D+01 -0.671056D+01 -0.432546D+01  0.538549D-01  0.892214D+00
                66            67            68            69            70 
      1   0.136136D+01  0.524979D+00 -0.400555D+00 -0.546299D+00  0.739452D+00
      2  -0.586020D+01 -0.831172D-01 -0.212457D+01  0.159474D+01 -0.473362D+01
      3  -0.157591D+01  0.145625D+01 -0.189445D+01  0.210791D+01 -0.136983D+01
                71            72            73            74            75 
      1   0.289671D+01  0.531817D+01  0.149439D+01 -0.170781D+01 -0.592438D+00
      2   0.319822D+01 -0.232383D+02  0.815227D+01 -0.634444D+00  0.510615D+01
      3   0.283386D+01 -0.429673D+01  0.965526D+01 -0.708197D+01 -0.801494D+00
                76            77            78            79            80 
      1  -0.123560D+01  0.133484D+00 -0.782369D+00 -0.664132D+00  0.212886D+00
      2  -0.689341D+00  0.146281D+01 -0.129333D+01  0.139438D+01  0.166066D+00
      3  -0.340636D+01  0.103490D+01 -0.731911D+00 -0.856174D+00 -0.790807D+00
                81            82            83            84            85 
      1   0.166213D+00 -0.105443D+01 -0.104249D+01  0.218216D+01 -0.133363D+01
      2  -0.142359D+01 -0.322018D+01  0.142587D+01 -0.160010D+01  0.121288D+01
      3   0.313917D+00  0.483638D+01 -0.371985D+01 -0.155262D+01  0.355644D+01
                86            87            88            89            90 
      1   0.437036D+00 -0.308845D+01  0.443800D+01  0.752711D+00 -0.667154D+00
      2   0.104521D+01  0.152799D+01 -0.129301D+02  0.174461D+01  0.224347D+01
      3  -0.592668D+01 -0.881719D+00 -0.175824D+01  0.953910D-01 -0.523741D+01
                91            92            93            94            95 
      1   0.590165D-01  0.469061D+00 -0.286013D+01  0.117575D+01  0.459456D-01
      2   0.132587D+01  0.154029D+01  0.255479D+01 -0.122822D+01 -0.312113D+01
      3  -0.314002D+01 -0.108068D+02 -0.189354D+01  0.657296D+01 -0.111940D+01
                96            97            98            99           100 
      1  -0.240026D+01 -0.693483D+01  0.387437D+01  0.871197D+00  0.621767D-01
      2   0.669741D+01 -0.359609D+01  0.996476D+01  0.434396D+01 -0.112595D+01
      3   0.241831D+01  0.919383D+00  0.300723D+01 -0.436741D+01  0.271981D+01
               101           102           103           104           105 
      1   0.143392D+00  0.125025D+01 -0.149011D+00 -0.338283D+01  0.284874D+01
      2  -0.586138D+00  0.897942D+01 -0.462072D+01 -0.772290D-01 -0.158063D+01
      3  -0.726207D+01  0.401212D+00  0.128662D+02  0.176571D+01 -0.633774D+00
               106           107           108           109           110 
      1   0.234209D+01  0.113752D+02  0.288129D+01  0.930775D+00 -0.149830D+00
      2   0.807957D+01 -0.229255D+01 -0.177982D+01  0.231555D+01  0.297311D+01
      3   0.401318D+01 -0.644378D+00  0.854290D+00 -0.377443D+01 -0.138428D+02
               111           112           113           114           115 
      1   0.239738D+01 -0.967229D+00  0.617155D+00 -0.400509D+01  0.499825D+01
      2   0.456927D+00  0.142027D+01  0.319690D+01 -0.600078D+01 -0.847938D+01
      3  -0.268014D+01  0.400182D+01  0.969379D+00 -0.220885D+01 -0.219337D+00
               116           117           118           119           120 
      1   0.731093D+00 -0.127707D+01 -0.155488D+01 -0.326047D-01 -0.396467D+01
      2  -0.938128D+01 -0.412256D+01 -0.212270D+01  0.212288D+00 -0.198121D+01
      3  -0.243622D+01  0.498546D+01  0.196551D+00  0.730945D+00  0.973389D+00
               121           122           123           124           125 
      1   0.726637D+00 -0.517859D+00 -0.197840D+01 -0.727931D+01  0.299352D+01
      2   0.366530D+01 -0.951330D+00 -0.776581D+00 -0.122954D+02 -0.506657D+00
      3   0.799495D+00  0.584515D+01 -0.335702D+00 -0.187373D+01  0.215889D+00
               126           127           128           129           130 
      1  -0.114974D+00  0.377060D-01 -0.240566D+00  0.141913D+01  0.760164D-02
      2  -0.739231D+00  0.126807D+01 -0.923194D+00  0.261051D+00 -0.123314D+01
      3   0.592213D+01 -0.600547D+01  0.375243D+01  0.998317D+00  0.698509D+01
               131           132           133           134           135 
      1   0.731616D+00 -0.409388D+01 -0.454923D+00  0.221227D+01 -0.263636D+00
      2   0.189981D+01 -0.358755D+00 -0.176734D+01  0.464154D+00 -0.183174D+00
      3  -0.884600D+01 -0.202765D+01  0.124128D+01 -0.155141D+01 -0.245176D+00
               136           137           138           139           140 
      1   0.208824D+00  0.553452D+00 -0.219641D+01 -0.102384D+00  0.424991D+00
      2  -0.957043D-01  0.960307D-01  0.281136D+01  0.733275D+00  0.141935D+01
      3  -0.154960D+01 -0.501020D+01 -0.304013D+00 -0.368123D+01 -0.110965D+02
               141           142           143           144           145 
      1  -0.322693D+01  0.860965D+00  0.166300D+01 -0.386989D+00 -0.107977D+00
      2   0.325683D+01 -0.895915D+00 -0.474060D+00  0.381225D+00 -0.923842D+00
      3  -0.141038D+01 -0.755710D+00 -0.217475D+01 -0.192218D+00  0.587747D+00
               146           147           148           149           150 
      1  -0.214521D+00  0.633101D+00  0.573373D-01 -0.562454D-02 -0.480353D+00
      2  -0.209946D-01  0.590937D+01  0.145931D+01 -0.311885D+00 -0.856003D+00
      3  -0.532661D+01  0.110276D+00 -0.378247D+01  0.145214D+01  0.249102D+00
               151           152           153           154           155 
      1  -0.393076D+00  0.487772D+00 -0.568948D-02 -0.194154D+00 -0.116376D+00
      2  -0.285852D+01  0.191451D+00 -0.288463D+00 -0.322227D+00  0.443459D+00
      3  -0.154823D+01  0.529581D+00 -0.651797D-01  0.740760D+00 -0.261900D+01
               156           157           158           159           160 
      1   0.160001D+01  0.287320D+00  0.282688D+00 -0.435983D+01 -0.594317D+00
      2   0.150968D+01  0.527521D+00 -0.256857D+01 -0.298194D+01 -0.525836D+00
      3  -0.289845D+00 -0.136970D+01  0.138148D+02  0.232850D+01 -0.301476D+00
               161           162           163           164           165 
      1   0.200723D+01 -0.503629D+00  0.991198D+00  0.732075D+00 -0.202600D+01
      2   0.137194D+00 -0.480115D+00 -0.221302D+01 -0.911460D+00  0.984475D+00
      3   0.279453D+01  0.460975D+00  0.107409D+02  0.391396D+01 -0.231224D+00
               166           167           168           169           170 
      1   0.281457D+00  0.173396D+00 -0.308756D+01  0.566924D+00  0.195968D+01
      2  -0.935194D+00 -0.128258D+01  0.138803D+01 -0.166379D+01 -0.251382D+00
      3   0.778402D+01  0.538358D+01  0.851726D+00 -0.180987D+00  0.888510D+00
               171 
      1   0.516653D-02
      2   0.322341D+00
      3  -0.835132D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.206261D+02 -0.321194D+01  0.209377D+01 -0.383287D+01  0.485379D+01
      2  -0.143429D+02 -0.247751D+00 -0.729062D+01  0.132480D+01  0.423018D+01
      3  -0.628320D+01  0.345969D+01  0.519685D+01  0.250807D+01 -0.908397D+01
      4  -0.537532D+01  0.147473D+02 -0.296266D+01  0.167952D+02 -0.157869D+02
      5   0.156322D+02 -0.353514D+01  0.235549D+02 -0.896889D+01  0.251633D+01
      6  -0.450864D+01  0.535534D+01 -0.117043D+01  0.504593D+01 -0.106885D+02
                 6             7             8             9            10 
      1   0.849594D+01  0.338848D+01  0.540223D+01  0.925047D+00  0.736822D+01
      2   0.477468D+01 -0.135067D+02  0.389531D+01 -0.121435D+02 -0.302374D+01
      3  -0.132706D+02  0.101183D+02 -0.929754D+01  0.112184D+02 -0.434448D+01
      4   0.507359D+00 -0.649000D+01 -0.325123D+01 -0.147581D+02 -0.328819D+01
      5  -0.133788D+02  0.320389D+02 -0.126299D+02  0.205963D+02 -0.555005D+01
      6   0.295448D+01 -0.482256D+01  0.721285D+01 -0.138785D+02  0.473119D+01
                11            12            13            14            15 
      1  -0.307825D+01  0.728396D+00 -0.121983D+02  0.952510D-01  0.633691D+01
      2   0.112749D+01  0.134376D+01  0.890177D+01 -0.583182D+01 -0.117610D+02
      3   0.195077D+01 -0.207216D+01  0.329648D+01  0.573657D+01  0.542409D+01
      4  -0.154222D+02  0.737013D+01 -0.149042D+02  0.182200D+02  0.174389D+02
      5   0.761973D+01 -0.199847D+02  0.157963D+02  0.167836D+02 -0.129764D+01
      6   0.246868D+01  0.193186D-01  0.679072D+01 -0.509483D+01 -0.582273D+01
                16            17            18            19            20 
      1  -0.137597D+01  0.591744D+01 -0.765950D+01 -0.688802D+00  0.216075D+01
      2   0.102810D+02 -0.571149D+01  0.806700D+01  0.313470D-01  0.310227D+00
      3  -0.890503D+01 -0.205950D+00 -0.407497D+00  0.657455D+00 -0.247097D+01
      4   0.152092D+02  0.181053D+02  0.701706D+01  0.157786D+01 -0.343717D+01
      5  -0.392556D+02  0.618110D+01 -0.947103D+01  0.957421D+00 -0.490656D+00
      6   0.400735D+01 -0.118143D+02  0.623932D+01  0.147426D+01 -0.191610D+01
                21            22            23            24            25 
      1   0.600189D+01  0.483343D+01 -0.634912D+01 -0.648941D+01  0.459777D+01
      2   0.724560D+00 -0.316417D+01 -0.628889D+00 -0.415043D+01 -0.297770D+01
      3  -0.672645D+01 -0.166926D+01  0.697801D+01  0.106398D+02 -0.162007D+01
      4  -0.174663D+01 -0.873278D-01  0.907346D+01  0.774257D+01 -0.142250D+01
      5  -0.323855D+01  0.388535D+01  0.598561D+01  0.114936D+02  0.566032D+01
      6  -0.122155D+01 -0.412088D+00  0.713813D+01  0.833160D+01 -0.950616D+00
                26            27            28            29            30 
      1  -0.390976D+01 -0.939603D+01  0.289070D+01 -0.327852D+01 -0.173224D+01
      2  -0.285438D+01 -0.693689D+01  0.154908D+01  0.364743D+00  0.446851D+00
      3   0.676414D+01  0.163329D+02 -0.443979D+01  0.291378D+01  0.128539D+01
      4   0.698936D+01  0.557653D+01 -0.754397D+01  0.116535D+02  0.225729D+01
      5   0.424586D+01  0.142519D+02 -0.375602D+01  0.213274D+01  0.611226D+01
      6   0.632526D+01  0.470930D+01  0.277579D+01 -0.200176D+01 -0.628845D+00
                31            32            33            34            35 
      1  -0.215330D+01 -0.982791D+01 -0.304786D+01 -0.129282D+01 -0.410866D+01
      2  -0.222087D+01  0.192459D+02  0.539681D+01 -0.929650D-01  0.341400D+01
      3   0.437417D+01 -0.941799D+01 -0.234895D+01  0.138578D+01  0.694661D+00
      4   0.129738D+02 -0.279775D+02 -0.887180D+01  0.304517D+01 -0.106859D+02
      5   0.296881D+01 -0.795308D+01 -0.772936D+01  0.726957D+01 -0.669517D+01
      6  -0.324020D+01  0.108028D+02  0.770177D+01 -0.268945D+01  0.952968D+01
                36            37            38            39            40 
      1  -0.354158D+01 -0.567575D+02  0.746357D+01  0.113155D+02  0.194390D+02
      2   0.113365D+01  0.336472D+02 -0.260434D+01  0.111531D+01 -0.118046D+02
      3   0.240793D+01  0.231103D+02 -0.485922D+01 -0.124308D+02 -0.763438D+01
      4  -0.760376D+01  0.963907D+01  0.121056D+02 -0.590312D+01  0.115134D+02
      5  -0.587370D+01  0.122858D+02 -0.839347D+01  0.169252D+02 -0.146938D+02
      6   0.647254D+01 -0.571773D+01 -0.461412D+01  0.647172D+01 -0.574415D+01
                41            42            43            44            45 
      1   0.839188D+01 -0.476028D+01 -0.593242D+00 -0.322961D+01  0.262364D+02
      2  -0.159190D+02 -0.287493D+01  0.232549D+01 -0.659458D+01  0.110440D+01
      3   0.752716D+01  0.763521D+01 -0.173225D+01  0.982419D+01 -0.273408D+02
      4  -0.158714D+02 -0.179028D+02 -0.999985D+01 -0.175063D+02  0.107733D+01
      5  -0.188842D+02  0.191413D+01  0.154962D+02 -0.178162D+01  0.156513D+02
      6  -0.281030D+01  0.552456D+01  0.448119D+01  0.391457D+01  0.369055D+01
                46            47            48            49            50 
      1  -0.187311D+02  0.486057D+01  0.224876D+01  0.305457D+01 -0.585121D+01
      2   0.400052D+01 -0.373254D+01 -0.192326D+01  0.249969D+01  0.133573D+02
      3   0.147306D+02 -0.112803D+01 -0.325503D+00 -0.555426D+01 -0.750612D+01
      4  -0.157915D+01  0.550432D+01 -0.693202D+00 -0.754562D+01  0.518705D+00
      5   0.995087D+01 -0.879120D+00  0.482083D+01 -0.732877D+01 -0.199661D+01
      6  -0.384898D+01  0.809214D-01 -0.301114D+01  0.107489D+01  0.386643D+01
                51            52            53            54            55 
      1  -0.379656D+00  0.190218D+01 -0.128339D+01 -0.712713D+01  0.542330D+01
      2   0.695340D+01  0.181184D+01  0.286906D+01 -0.358510D+01 -0.542667D+00
      3  -0.657375D+01 -0.371403D+01 -0.158567D+01  0.107122D+02 -0.488063D+01
      4  -0.238391D+01 -0.433854D+01 -0.145973D+01 -0.535556D+00  0.249236D+01
      5  -0.851055D-01  0.754064D+01 -0.438448D+00  0.223815D+00  0.737817D+00
      6  -0.237537D+01 -0.128065D+01  0.618983D+01 -0.254880D+01  0.110992D+01
                56            57            58            59            60 
      1   0.316125D+01 -0.300738D+00  0.606910D+01 -0.100314D+02 -0.104726D+01
      2  -0.121484D+01 -0.341182D+00 -0.120179D+01  0.262152D+02  0.637496D+01
      3  -0.194641D+01  0.641920D+00 -0.486731D+01 -0.161838D+02 -0.532769D+01
      4   0.252389D+01  0.204891D+01  0.959346D+01  0.323418D+02  0.576272D+01
      5   0.993833D+00 -0.111795D+01 -0.183465D+01  0.660830D+01  0.889700D+01
      6   0.549802D+00 -0.117148D+01 -0.926356D+00 -0.367665D+01  0.413879D+01
                61            62            63            64            65 
      1   0.429760D+01 -0.283517D+00 -0.467080D+01 -0.124655D+00  0.984341D+00
      2  -0.179429D+01  0.587087D+01  0.326616D+01 -0.327995D+01 -0.456573D+00
      3  -0.250331D+01 -0.558735D+01  0.140464D+01  0.340461D+01 -0.527768D+00
      4   0.530919D+01  0.117237D+02  0.568600D+01 -0.130274D+01 -0.147432D+01
      5   0.262704D-01  0.633140D+01  0.390107D+01 -0.168828D+01  0.110199D+01
      6   0.809329D-01  0.372533D+01  0.251996D+01 -0.837101D+00  0.240705D+01
                66            67            68            69            70 
      1  -0.111102D+02 -0.137156D+01 -0.518542D+01  0.289855D+01 -0.870963D+01
      2  -0.793211D+00  0.108948D+01  0.212281D+01 -0.137014D+01  0.443474D+01
      3   0.119034D+02  0.282080D+00  0.306261D+01 -0.152841D+01  0.427490D+01
      4  -0.415504D+00  0.121900D+01  0.306679D+01 -0.331590D+01 -0.336422D+01
      5  -0.287161D+01  0.859963D+00 -0.259989D+01  0.197310D+01  0.780878D+01
      6  -0.293985D+01  0.417857D+00 -0.234834D+01  0.804523D+01 -0.871142D-01
                71            72            73            74            75 
      1   0.400200D+01 -0.277989D+02  0.899379D+02 -0.487256D+01 -0.761407D+01
      2  -0.290535D-01 -0.148672D+02 -0.499532D+02  0.375559D+01  0.683022D+01
      3  -0.397295D+01  0.426661D+02 -0.399847D+02  0.111697D+01  0.783849D+00
      4  -0.522828D+01  0.326755D+01  0.399188D+01  0.103651D+02 -0.465570D+00
      5   0.546971D+01 -0.356499D+02 -0.263676D+02  0.102870D+01  0.132321D+02
      6   0.758698D+01 -0.128795D+02  0.903916D+00 -0.283003D+01  0.998174D+00
                76            77            78            79            80 
      1  -0.160938D+02  0.687686D+01  0.170258D+01  0.568591D+00  0.400829D+00
      2   0.962091D+01 -0.162119D+01 -0.138051D+01  0.183622D+01  0.421528D+00
      3   0.647288D+01 -0.525566D+01 -0.322070D+00 -0.240482D+01 -0.822357D+00
      4   0.983482D+01 -0.211470D+01  0.512546D+00  0.715283D+00  0.129415D+01
      5   0.627860D+01 -0.725366D+00 -0.361834D+01  0.117739D+02 -0.408958D+00
      6  -0.255195D+01  0.128573D+01  0.849959D+00  0.458635D+00  0.101376D+01
                81            82            83            84            85 
      1   0.457973D+01  0.127868D+02  0.936466D+01  0.135782D+01 -0.199085D+01
      2  -0.522875D+01 -0.820913D+01 -0.634649D+01  0.216663D+01  0.104645D+02
      3   0.649011D+00 -0.457768D+01 -0.301817D+01 -0.352445D+01 -0.847363D+01
      4  -0.752338D-01  0.404855D+01 -0.193113D+02 -0.335097D+01  0.983268D+01
      5  -0.534069D+01 -0.364843D+01 -0.285530D+01 -0.607817D+01 -0.806473D-01
      6  -0.664271D+00 -0.689321D+00  0.544879D+00 -0.509791D+01  0.537996D+01
                86            87            88            89            90 
      1   0.798236D+01  0.390757D+01 -0.222579D+01  0.364948D+01 -0.156272D+02
      2  -0.138184D+02 -0.622188D+01  0.402258D+01 -0.964337D+01  0.149388D+01
      3   0.583608D+01  0.231431D+01 -0.179680D+01  0.599389D+01  0.141333D+02
      4   0.153894D+02  0.237445D+01 -0.645959D+00  0.204431D+01  0.699791D+01
      5   0.242885D+01  0.550989D+00  0.471133D+01  0.615156D+01  0.328778D+01
      6  -0.842496D+01  0.588133D+01 -0.179581D+01  0.147418D+02  0.404112D+01
                91            92            93            94            95 
      1  -0.146892D+01 -0.240053D+02 -0.591828D+01  0.295286D+02  0.346592D+01
      2  -0.236702D+01  0.148766D+02 -0.517092D+00 -0.281026D+02 -0.723162D+01
      3   0.383594D+01  0.912869D+01  0.643538D+01 -0.142600D+01  0.376570D+01
      4  -0.146967D+02  0.292022D+01  0.120055D+01 -0.145023D+00 -0.110246D+02
      5   0.605449D+00 -0.494512D-01  0.553935D+01 -0.579261D+01 -0.806134D+01
      6  -0.330931D+00  0.148457D+01  0.770368D+01 -0.727052D+01 -0.680171D+01
                96            97            98            99           100 
      1   0.924355D+00  0.650312D+01  0.187467D+01  0.190907D+01 -0.129393D+02
      2  -0.150459D+01 -0.919177D+01 -0.635089D+01 -0.923424D+01  0.779361D+01
      3   0.580240D+00  0.268865D+01  0.447622D+01  0.732517D+01  0.514567D+01
      4  -0.912214D+01 -0.342421D+01 -0.837136D+01  0.148047D+02  0.279323D+01
      5   0.140606D+02  0.203805D+02  0.148843D+02  0.943549D+01  0.203079D+01
      6   0.481489D+01  0.662989D+01  0.125021D+02  0.204541D+00  0.829061D+00
               101           102           103           104           105 
      1   0.564839D+01  0.330184D+01 -0.894065D+01 -0.201762D+02 -0.744226D+01
      2  -0.418638D+01 -0.949441D+00  0.799719D+01  0.178736D+02  0.972812D+01
      3  -0.146201D+01 -0.235240D+01  0.943452D+00  0.230261D+01 -0.228587D+01
      4   0.245557D+02  0.410764D+00 -0.206981D+02  0.316310D+01  0.356575D+01
      5   0.170878D+00  0.211414D+02 -0.109361D+02  0.930945D+00 -0.277598D+01
      6   0.138381D+00 -0.284392D+01  0.311755D+01  0.466121D+01 -0.527905D+01
               106           107           108           109           110 
      1   0.804362D+00 -0.710865D+01  0.146062D+02  0.851027D+01  0.211639D+02
      2   0.147798D+01  0.529221D+01 -0.174712D+02 -0.821632D+01 -0.131538D+02
      3  -0.228234D+01  0.181644D+01  0.286501D+01 -0.293946D+00 -0.801011D+01
      4  -0.119911D+02  0.173312D+01 -0.331807D+01  0.151849D+02 -0.568794D+01
      5   0.368891D+02 -0.325952D+01 -0.321518D+01  0.456330D+01 -0.590796D+00
      6  -0.217075D+01  0.662890D+01 -0.436316D+01 -0.423598D+01  0.208835D+00
               111           112           113           114           115 
      1   0.340517D+01 -0.232338D+02  0.111811D+02  0.327239D+01 -0.431088D+01
      2   0.323793D-01  0.213510D+02 -0.162168D+02 -0.669654D+01  0.664307D+01
      3  -0.343755D+01  0.188280D+01  0.503565D+01  0.342416D+01 -0.233219D+01
      4  -0.233014D+01  0.121372D+02  0.418823D+01  0.640703D+01 -0.118756D+01
      5  -0.245750D+01 -0.198588D+00  0.693935D+01 -0.128517D+02  0.139325D+02
      6  -0.540063D+01  0.481298D+01 -0.103085D+02  0.776939D+01 -0.582581D+01
               116           117           118           119           120 
      1   0.151745D+01 -0.640220D+01  0.166286D+00 -0.180780D+02 -0.380482D+01
      2  -0.856018D+01 -0.451607D+01 -0.116863D+01  0.130680D+02 -0.743580D+00
      3   0.704273D+01  0.109183D+02  0.100235D+01  0.501003D+01  0.454840D+01
      4   0.832888D+01 -0.149967D+02 -0.976680D+01 -0.136457D+02 -0.793859D+00
      5  -0.150594D+02 -0.856602D+01 -0.378401D+01 -0.156605D+01 -0.340453D+01
      6   0.157496D+02  0.367811D+01  0.201657D+01  0.302007D-01  0.853049D+01
               121           122           123           124           125 
      1   0.466038D+01  0.146380D+01  0.258416D+01  0.786696D-02  0.402599D+01
      2  -0.149300D+02 -0.486322D+01 -0.350535D+01 -0.602839D+01 -0.624477D+01
      3   0.102696D+02  0.339942D+01  0.921193D+00  0.602053D+01  0.221878D+01
      4   0.323804D+01 -0.132360D+02 -0.222082D+01  0.213360D+01 -0.138576D+01
      5   0.391737D+01 -0.213655D+01  0.252580D+01  0.189332D+01 -0.202025D+01
      6  -0.674660D+01 -0.464507D+01  0.439665D+01  0.527503D+01  0.109532D+02
               126           127           128           129           130 
      1  -0.148190D+02 -0.531058D+01  0.890239D+01  0.198721D+01  0.773574D+01
      2   0.183369D+01  0.688325D+01 -0.110033D+02 -0.166288D+01 -0.949868D+01
      3   0.129853D+02 -0.157266D+01  0.210086D+01 -0.324328D+00  0.176295D+01
      4  -0.302881D+01 -0.392810D+01  0.761181D+01  0.123930D+01  0.498866D+01
      5   0.596738D+00 -0.870313D+00  0.124224D+01  0.173440D+01  0.944867D+00
      6   0.402640D+00  0.210973D+01 -0.279098D+01 -0.204905D+01 -0.249587D+01
               131           132           133           134           135 
      1  -0.343693D+02 -0.663918D+01  0.151484D+01 -0.632525D+01 -0.235091D+01
      2   0.456115D+02  0.629663D+01 -0.204223D+01  0.785043D+01  0.307176D+01
      3  -0.112422D+02  0.342556D+00  0.527388D+00 -0.152518D+01 -0.720848D+00
      4   0.456302D+00  0.385667D+00  0.113779D+01  0.363536D-01 -0.117522D+01
      5   0.551339D+00 -0.192798D+00  0.463736D+00 -0.473541D+00 -0.459390D+00
      6   0.109041D+02  0.783210D+01 -0.585810D+00  0.359214D+01  0.226445D+01
               136           137           138           139           140 
      1   0.225761D+02  0.145266D+02  0.244646D+01  0.907254D+01  0.376976D+01
      2  -0.414530D+01  0.649619D+00 -0.802951D+00  0.663873D+01  0.166622D+02
      3  -0.184308D+02 -0.151762D+02 -0.164350D+01 -0.157113D+02 -0.204320D+02
      4   0.341208D+02  0.311146D+02  0.420708D+01  0.344111D+02  0.445714D+02
      5   0.639600D+01  0.478461D+01  0.605810D+01  0.655507D+01  0.773679D+01
      6   0.263076D+01  0.227553D+01  0.302742D+01  0.421924D+01  0.586528D+01
               141           142           143           144           145 
      1   0.679634D+00  0.129294D+01  0.154051D+00  0.319480D-01  0.101234D+03
      2   0.872160D+00  0.112214D+01  0.261992D+01  0.105567D+01 -0.566924D+02
      3  -0.155179D+01 -0.241507D+01 -0.277397D+01 -0.108761D+01 -0.445413D+02
      4   0.681262D+01  0.584729D+01  0.721447D+01  0.268146D+01 -0.157060D+02
      5   0.545980D+01  0.226268D+01  0.236152D+01  0.128441D+01 -0.503113D+01
      6   0.582334D+01  0.174011D+01  0.233318D+01  0.173077D+01 -0.204643D+01
               146           147           148           149           150 
      1  -0.946834D+01 -0.405059D+01 -0.852081D+01  0.998430D+01  0.171795D+01
      2   0.462189D+01  0.262236D+01  0.359784D+01 -0.452229D+01 -0.147264D+01
      3   0.484645D+01  0.142823D+01  0.492297D+01 -0.546201D+01 -0.245308D+00
      4   0.974618D+01  0.511325D+00  0.165680D+02 -0.476129D+01 -0.104006D+01
      5   0.308513D+00  0.919778D+01  0.329044D+01 -0.960922D+00 -0.122438D+01
      6  -0.463636D-01 -0.637308D+00 -0.471075D+00 -0.137912D+00  0.167303D+01
               151           152           153           154           155 
      1  -0.425086D+01  0.176848D+01  0.270491D+01  0.507597D+01 -0.460160D+01
      2   0.224103D+01 -0.983857D+00 -0.149287D+01  0.390239D+01 -0.554715D+01
      3   0.200984D+01 -0.784620D+00 -0.121203D+01 -0.897836D+01  0.101487D+02
      4   0.343718D+01 -0.117828D+01 -0.576558D+00 -0.188259D+02  0.239118D+02
      5   0.170343D+01 -0.363243D+00 -0.868518D+00 -0.355904D+01  0.401153D+01
      6  -0.956683D-01  0.510187D+00  0.426187D+00  0.276624D+01 -0.306627D+01
               156           157           158           159           160 
      1  -0.966397D+00  0.141071D+01 -0.166493D+02 -0.314249D+01  0.130155D+00
      2  -0.417485D+00 -0.123196D+02  0.394877D+02  0.519768D+01 -0.196282D+01
      3   0.138388D+01  0.109089D+02 -0.228384D+02 -0.205519D+01  0.183266D+01
      4   0.440937D+01  0.247201D+02 -0.480078D+02 -0.887010D+01  0.500072D+01
      5   0.425637D+01  0.447865D+01 -0.808044D+01 -0.526751D+01  0.172359D+01
      6  -0.244349D+01 -0.460847D+01  0.111201D+02  0.818286D+01 -0.180174D+01
               161           162           163           164           165 
      1  -0.292789D+01 -0.144164D+01 -0.332943D+01 -0.624593D+01 -0.120063D+01
      2   0.682215D+01  0.264911D+01  0.551129D+01  0.902102D+01  0.106518D+01
      3  -0.389425D+01 -0.120747D+01 -0.218185D+01 -0.277508D+01  0.135456D+00
      4  -0.960945D+01 -0.290210D+01  0.921126D+01  0.849068D+01  0.619784D+00
      5  -0.212530D+01 -0.149620D+01 -0.263117D+00  0.578081D+00  0.205129D+01
      6   0.365786D+01  0.252663D+01  0.867676D+00  0.172144D+01  0.186479D+01
               166           167           168           169           170 
      1  -0.816616D+01 -0.204731D+02 -0.331353D+01 -0.134317D+01 -0.327779D+01
      2   0.111523D+02  0.275429D+02  0.282737D+01  0.230639D+01  0.417521D+01
      3  -0.298619D+01 -0.706975D+01  0.486160D+00 -0.963211D+00 -0.897418D+00
      4   0.848865D+01  0.883796D+01  0.859591D+00  0.102855D+01  0.120667D+01
      5   0.858579D+00  0.917311D+00  0.154663D+01  0.614775D+00  0.676961D+00
      6   0.224983D+01  0.490580D+01  0.502802D+01  0.479806D+00  0.191906D+01
               171 
      1  -0.472305D+00
      2   0.148658D+01
      3  -0.101427D+01
      4   0.186154D+01
      5   0.353442D+00
      6   0.104095D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x         -0.414972D+00     -0.105475D+01     -0.351828D+01
   y          0.430442D+00      0.109407D+01      0.364944D+01
   z         -0.236947D+00     -0.602259D+00     -0.200892D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.120315D+03      0.178288D+02      0.198373D+02
   yx         0.658091D+00      0.975190D-01      0.108504D+00
   yy         0.970347D+02      0.143791D+02      0.159989D+02
   zx        -0.168596D+01     -0.249834D+00     -0.277977D+00
   zy         0.591442D+01      0.876426D+00      0.975156D+00
   zz         0.667553D+02      0.989212D+01      0.110065D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104892D+03      0.155434D+02      0.172944D+02
   aniso      0.508342D+02      0.753285D+01      0.838143D+01
   xx         0.132934D+03      0.196988D+02      0.219178D+02
   yx         0.104697D+01      0.155144D+00      0.172621D+00
   yy         0.106272D+03      0.157479D+02      0.175219D+02
   zx        -0.135833D+01     -0.201284D+00     -0.223959D+00
   zy         0.561285D+01      0.831739D+00      0.925434D+00
   zz         0.754709D+02      0.111836D+02      0.124435D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          1.06769431         -2.11508468         -4.15855482
     6          2.09106880         -0.30135558         -2.41856796
     1          0.42917632         -3.52524239         -3.19773248
     1          2.30108628          1.40968632         -3.55141128
     6          4.69568660         -1.11614513         -1.50044667
     6          0.22793453          0.25468875         -0.31926551
     1          4.60407522         -2.88607999         -0.44456533
     1          5.52493693          0.31960982         -0.27291979
     1          5.93541503         -1.40762384         -3.11920623
     6         -1.33996906          2.36446622         -0.47735407
     6         -3.12791380          2.86092163          1.37958643
     6         -3.38144689          1.23735887          3.42798868
     6         -1.83254271         -0.87626101          3.60663543
     6         -0.03887991         -1.35708526          1.75072863
     1         -1.15766375          3.62580393         -2.07949126
     1         -4.32445908          4.51305342          1.22607504
     1         -4.77269304          1.61821220          4.87797413
     1         -2.01243294         -2.14636733          5.20028364
     1          1.16740130         -2.99990985          1.93360185

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643137D+00      0.163469D+01      0.545275D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.950926D+02      0.140913D+02      0.156787D+02
   yx        -0.168015D+02     -0.248972D+01     -0.277019D+01
   yy         0.906823D+02      0.134377D+02      0.149515D+02
   zx        -0.209882D+02     -0.311013D+01     -0.346048D+01
   zy        -0.468700D+01     -0.694541D+00     -0.772781D+00
   zz         0.983301D+02      0.145710D+02      0.162124D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104892D+03      0.155434D+02      0.172944D+02
   aniso      0.508342D+02      0.753285D+01      0.838143D+01
   xx         0.105749D+03      0.156704D+02      0.174357D+02
   yx        -0.181430D+02     -0.268852D+01     -0.299138D+01
   yy         0.100055D+03      0.148266D+02      0.164968D+02
   zx        -0.223107D+02     -0.330610D+01     -0.367853D+01
   zy        -0.380053D+01     -0.563181D+00     -0.626623D+00
   zz         0.108873D+03      0.161333D+02      0.179507D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-32\Freq\RB3LYP\Gen\C8H10O1\PIERPA\12-Aug-2021\0\\#P B
 3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,
 MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculati
 ons.\\0,1\O,2.16622,-0.541659,1.195302\C,1.64602,-0.400115,-0.135719\H
 ,1.838555,0.193959,1.725431\H,1.824407,-1.375317,-0.592567\C,2.427578,
 0.650046,-0.915467\C,0.1504,-0.165668,-0.105785\H,2.328899,1.638727,-0
 .463185\H,2.074,0.712216,-1.946429\H,3.485412,0.387513,-0.919933\C,-0.
 725222,-1.234479,-0.286837\C,-2.100455,-1.052102,-0.21422\C,-2.622082,
 0.208958,0.048005\C,-1.759833,1.283245,0.232897\C,-0.385458,1.096625,0
 .15259\H,-0.321703,-2.220444,-0.483457\H,-2.764487,-1.894375,-0.360877
 \H,-3.693001,0.3546,0.105456\H,-2.1581,2.269728,0.433453\H,0.270579,1.
 94761,0.286902\\Version=ES64L-G16RevA.03\State=1-A\HF=-386.2755634\RMS
 D=3.962e-09\RMSF=5.420e-06\ZeroPoint=0.1606776\Thermal=0.1692599\Dipol
 e=-0.4149719,0.4304419,-0.2369469\DipoleDeriv=-0.7906852,-0.0411031,-0
 .1481094,-0.0771915,-0.2961364,0.1243938,-0.2419024,0.1766049,-0.86622
 19,0.7201634,0.0006531,0.0550617,0.0141559,0.3196781,-0.116612,0.05436
 65,-0.1335582,0.7572262,0.3304118,0.0897745,0.040546,0.0911315,0.12618
 5,-0.0599682,0.0689233,-0.0176564,0.2919072,-0.0013602,-0.0152685,0.00
 24376,0.0271379,-0.1167344,-0.0611669,0.0102675,-0.031591,-0.0249179,-
 0.0652207,-0.0827365,0.0811998,-0.0476273,-0.0020972,0.1187449,0.01570
 29,0.0733718,0.0052561,0.0345053,0.0042607,-0.0125298,-0.0278728,-0.07
 33854,0.0335754,0.1242589,-0.0034973,-0.126412,0.0684508,0.0438186,0.0
 331344,0.0026643,-0.0960664,-0.0491933,0.0201465,-0.0927338,-0.001541,
 0.0450927,-0.003572,-0.0776857,-0.0080596,0.0475018,0.0039271,-0.04761
 04,0.0276141,-0.1144327,-0.1628114,0.0157237,0.0303881,0.0331863,0.049
 4455,0.0078671,0.0069539,0.0102073,0.0708847,-0.1085535,-0.063684,-0.0
 046602,-0.0468317,0.0719028,0.0302313,-0.0072801,0.0288775,-0.1090946,
 0.0067658,0.0851607,0.0120134,0.0810104,0.0543548,0.0388279,0.0032067,
 0.0318466,-0.1136023,0.0578705,-0.0235443,-0.0137537,-0.0197186,-0.069
 5386,0.0103081,-0.0083406,0.0157629,-0.1343327,-0.0111641,-0.0487605,-
 0.0043976,-0.058333,0.0954604,0.047894,-0.0243124,0.0409656,-0.1238883
 ,-0.0954603,0.0563351,-0.0066017,0.0764731,-0.0033192,0.0104243,0.0110
 82,0.0119444,-0.1229477,0.0391505,0.0750022,0.0190777,0.0535354,-0.051
 9935,-0.0364216,0.0157533,-0.03463,0.1144912,-0.0085201,-0.0793029,-0.
 01086,-0.0863896,-0.0314464,-0.0297958,-0.011956,-0.0315167,0.1250713,
 -0.1021113,0.0223435,0.0115887,0.0221607,0.0685733,-0.0134223,0.011852
 7,-0.0141421,0.1322396,0.0318674,0.0524507,0.0130364,0.06572,-0.072357
 4,-0.041213,0.0153817,-0.0389588,0.1232214,0.0116087,-0.0875508,-0.019
 8858,-0.0951515,-0.0200266,-0.0184007,-0.016494,-0.0189108,0.1170934\P
 olar=120.3150089,0.6580906,97.034688,-1.6859601,5.9144176,66.7553385\Q
 uadrupole=-0.2567235,2.2185791,-1.9618556,1.9973086,-1.9179414,3.07438
 15\PG=C01 [X(C8H10O1)]\NImag=0\\0.16311466,-0.16675492,0.37655490,-0.0
 1027097,0.18011942,0.42581057,-0.07988513,0.01100005,-0.04417747,0.475
 25050,0.02467044,-0.08411111,0.02161487,-0.02033104,0.60046421,-0.0281
 9644,-0.01583709,-0.17348083,-0.03569938,0.07615795,0.44365921,-0.0746
 3263,0.15279103,0.09406451,0.00257635,-0.01279673,-0.01401550,0.071546
 37,0.13900591,-0.30464639,-0.21275600,-0.00085676,0.00012891,0.0050479
 2,-0.13829420,0.30142748,0.06553757,-0.17442083,-0.16825611,0.01269239
 ,-0.03405197,-0.02711529,-0.07594374,0.20473568,0.19827605,0.00359244,
 -0.01076174,-0.01056498,-0.05867246,0.04017676,0.02113975,-0.00080735,
 -0.00067060,-0.00244881,0.06856217,-0.00114961,0.00602996,-0.00163021,
 0.04072233,-0.25833289,-0.09476987,-0.00055586,0.00183179,0.00198993,-
 0.03995163,0.27717468,0.00213325,-0.02984024,-0.03230602,0.01928936,-0
 .08619741,-0.08294151,-0.00425708,-0.00043126,-0.00535783,-0.01693120,
 0.09994771,0.11012974,0.00824923,0.00888002,-0.01213204,-0.11082463,-0
 .04159026,0.03251346,-0.00033862,0.00042791,0.00039486,0.00229940,0.00
 229292,-0.00151707,0.54924468,0.00054230,0.00076274,0.00680933,-0.0376
 2460,-0.13823212,0.03103999,0.00082799,0.00193251,-0.00053228,-0.01816
 190,-0.02287280,0.01615618,-0.03897591,0.52077749,0.00914755,0.0299509
 1,-0.04068131,0.02589795,0.02469606,-0.09034720,0.00052335,0.00160892,
 0.00011368,-0.00548132,-0.00713171,0.00816600,0.03423076,0.03634089,0.
 54131809,-0.02114778,0.00553253,-0.01777870,-0.18307551,0.01822818,0.0
 1359381,0.00159079,0.00018096,-0.00026892,-0.00988980,0.00228391,0.000
 26605,-0.02166811,-0.00242800,0.00633732,0.62853489,0.00398823,0.00405
 118,0.00148724,0.01389273,-0.10063222,-0.00547017,-0.00211222,0.001276
 56,0.00053738,0.03019896,-0.00615061,-0.00169503,-0.02407512,0.0065886
 5,0.00116165,0.00879518,0.65142749,-0.04011750,0.00784895,-0.01407846,
 0.01383933,-0.00963697,-0.06947888,-0.00091303,0.00156961,0.00193921,0
 .01286796,-0.00202779,0.00157255,0.01651241,-0.00340327,0.00133098,-0.
 00476112,0.08744802,0.20106117,-0.00003426,0.00169195,-0.00099329,0.00
 185420,-0.01724275,-0.00941567,0.00044188,0.00029534,0.00032716,-0.001
 24342,-0.00244290,0.00223707,-0.04926399,0.02355057,0.01211117,0.00113
 205,0.00043640,-0.00062253,0.05138451,0.00056486,0.00342570,0.00036010
 ,0.00191982,-0.02405465,-0.01201007,-0.00022916,-0.00055854,0.00106711
 ,-0.00295653,-0.00174851,0.00310269,0.02280237,-0.25672833,-0.09858169
 ,0.00167575,0.00019234,0.00030735,-0.02474625,0.28243607,-0.00053643,-
 0.00106662,0.00285763,-0.00264361,0.01705338,0.00646261,0.00034088,-0.
 00018000,-0.00027571,0.00187812,0.00290645,-0.00115420,0.01064597,-0.0
 9922753,-0.09349594,-0.00037550,-0.00093574,0.00020246,-0.01470386,0.1
 0844967,0.09823223,0.00020303,-0.00313740,0.00397004,0.00506521,0.0020
 7691,0.01500675,0.00001530,-0.00014881,-0.00019419,0.00050102,0.000312
 91,-0.00059193,-0.07608748,0.00367940,-0.08184224,-0.00013594,0.000240
 14,0.00013939,0.00024944,-0.00042598,0.00400719,0.07824306,-0.00219239
 ,-0.00257300,0.00578671,0.01004367,0.00136410,0.01841030,-0.00029348,-
 0.00078980,0.00039290,0.00063995,0.00030814,-0.00083567,0.00304261,-0.
 04851750,0.01213817,0.00018796,0.00056695,-0.00036483,-0.00998752,0.00
 267780,-0.02777977,-0.00334159,0.04850550,0.00224345,0.00407316,-0.003
 15605,-0.00715028,-0.00301516,-0.01429876,-0.00036531,0.00018165,0.000
 64734,-0.00000809,0.00046244,0.00058416,-0.07968786,0.01315037,-0.2789
 1092,-0.00063472,0.00002368,0.00068070,-0.00403027,0.00083592,-0.01196
 261,0.08897888,-0.01546985,0.30441965,0.00259264,0.00061176,-0.0006233
 6,-0.01868099,0.00458860,-0.00079636,-0.00015429,0.00003753,-0.0000686
 8,0.00077972,-0.00030491,-0.00030069,-0.29555591,0.06470343,0.00083047
 ,-0.00013018,-0.00322069,0.00158104,-0.00188207,0.00076871,0.00017523,
 -0.00820538,0.00200584,0.00008787,0.32185338,0.00086799,0.00078211,-0.
 00210923,-0.02578987,0.00469013,0.00114048,0.00014369,-0.00006808,0.00
 007778,0.00014916,0.00115159,-0.00070647,0.06681533,-0.06356361,-0.000
 56557,-0.00093015,-0.00333652,0.00313046,0.02822972,-0.00700149,0.0006
 8351,0.00073770,-0.00144576,-0.00011409,-0.06914038,0.06818593,-0.0006
 8461,-0.00102065,0.00138935,0.01745227,-0.00419531,-0.00167709,0.00022
 463,-0.00001053,-0.00001789,-0.00076753,-0.00029392,0.00045683,-0.0017
 6581,-0.00043991,-0.04712880,0.00108833,0.00249683,-0.00103514,0.01406
 012,-0.00321078,-0.00075795,-0.02956338,0.00780563,0.00180146,-0.00091
 407,-0.00130076,0.04664801,-0.00039433,-0.00132463,-0.00060303,-0.0258
 8447,-0.02376735,-0.00215415,-0.00096253,0.00002447,-0.00048534,0.0009
 9966,-0.00261595,-0.00088277,-0.00325249,0.00139717,-0.00124804,-0.198
 26013,-0.05846842,-0.00861256,-0.00028762,-0.00033190,-0.00001168,0.00
 021340,-0.00001889,0.00045057,-0.00050023,-0.00086975,0.00073271,0.680
 04379,0.00288474,-0.00140210,0.00185912,-0.00271096,0.00894089,-0.0006
 7005,-0.00078087,-0.00042665,-0.00040917,0.00252422,0.00046916,-0.0000
 7973,0.00243220,-0.00085595,-0.00074141,-0.12328413,-0.23859492,-0.029
 56966,-0.00011335,-0.00013577,0.00010310,0.00007550,0.00004034,0.00011
 943,0.00060013,0.00045887,-0.00028267,-0.02899488,0.69688739,-0.000256
 50,0.00033930,0.00087294,-0.00018125,0.00000507,0.00336412,0.00019615,
 0.00011220,0.00012843,0.00008872,0.00067144,-0.00004529,0.00109719,0.0
 0027259,-0.00038043,-0.02081698,-0.03252293,-0.07205008,-0.00006941,-0
 .00006573,0.00015785,-0.00009825,-0.00019155,0.00022754,0.00044127,0.0
 0007350,-0.00001954,-0.01807202,0.10915002,0.15382139,-0.00015945,0.00
 174026,-0.00059567,0.00081024,-0.00439648,0.00066305,0.00047603,-0.000
 10852,0.00058634,-0.00009529,0.00047611,0.00013364,-0.00073733,0.00038
 517,-0.00010054,-0.04191971,-0.06569678,-0.01174849,0.00025895,0.00015
 875,-0.00003210,-0.00006841,-0.00001687,-0.00010011,-0.00025535,-0.000
 03249,0.00008873,-0.32946546,0.05821066,0.01746585,0.69047252,-0.00008
 136,-0.00058611,-0.00034344,-0.00196723,-0.00318225,-0.00146683,-0.000
 24762,-0.00002108,-0.00024559,-0.00012725,0.00021519,0.00011414,-0.000
 54663,0.00042231,0.00011843,-0.01903749,0.04608731,0.00753514,0.000045
 47,0.00006464,-0.00002762,0.00002918,-0.00007443,0.00016517,-0.0000825
 2,-0.00008464,0.00020036,-0.00635828,-0.13104782,-0.01275320,0.0399913
 5,0.69072680,0.00233075,-0.00022706,0.00103640,-0.00131404,-0.00238282
 ,0.00679400,-0.00009252,-0.00014211,-0.00018175,0.00002713,0.00024673,
 0.00008108,-0.00128057,0.00036970,-0.00048397,-0.00211115,0.01027254,0
 .00731522,-0.00004163,-0.00005195,-0.00000659,0.00009147,0.00007673,-0
 .00003601,-0.00023290,-0.00035002,0.00016573,0.00604322,-0.01552356,-0
 .06240251,-0.00749580,0.10881940,0.15100998,-0.00098012,0.00038383,-0.
 00014587,0.00053448,-0.00063749,-0.00067627,0.00013828,0.00007831,0.00
 039650,0.00002317,-0.00009284,0.00000487,-0.00048865,0.00008570,-0.000
 07075,-0.00038207,-0.01017064,-0.00156384,0.00002846,0.00010453,0.0000
 2651,0.00000043,0.00005592,-0.00002983,-0.00008076,-0.00006827,0.00004
 920,-0.01243815,0.03678666,0.00738917,-0.15843072,0.10073090,0.0225572
 0,0.74117116,0.00005216,0.00150685,0.00034616,-0.00085384,-0.00213392,
 -0.00032839,0.00061324,-0.00000423,0.00059076,-0.00023269,0.00038892,0
 .00021113,-0.00020763,0.00026618,0.00020218,-0.00922951,-0.06625560,-0
 .01179722,0.00021728,0.00011606,-0.00007280,-0.00005221,-0.00000542,-0
 .00014489,-0.00011870,0.00001552,-0.00002877,0.08314553,0.01771105,-0.
 00095230,0.03698908,-0.29438702,-0.04740023,-0.00864071,0.64135203,-0.
 00021829,0.00035298,-0.00009897,0.00008225,-0.00033355,-0.00094333,0.0
 0008223,0.00007492,0.00006004,0.00002935,0.00005893,0.00012618,0.00000
 050,-0.00005761,-0.00000079,-0.00218826,-0.01154244,-0.00773319,0.0000
 1470,0.00006304,0.00005168,-0.00001149,-0.00001200,-0.00004487,0.00000
 352,0.00006905,-0.00002732,0.01678084,0.00138991,0.00512774,0.01007223
 ,-0.04919911,-0.06826311,-0.01877263,0.10082014,0.14718458,-0.00002032
 ,-0.00163973,-0.00107618,0.00345352,0.00221312,0.00184417,-0.00090590,
 -0.00013171,-0.00073435,0.00014891,-0.00040262,-0.00035629,0.00037317,
 -0.00042725,-0.00046702,-0.01261060,0.08311094,0.01719605,-0.00018726,
 -0.00012578,0.00003877,0.00001142,0.00005377,0.00023152,0.00006963,-0.
 00002759,0.00008454,-0.05941889,-0.02298610,-0.00218592,0.06263612,-0.
 04008510,-0.00934011,-0.20759816,-0.06567743,-0.00893651,0.67134859,-0
 .00086122,0.00017018,-0.00020305,0.00091761,-0.00547794,-0.00300026,-0
 .00020069,-0.00015771,0.00015863,0.00163453,-0.00040410,-0.00010203,-0
 .00078213,-0.00052777,-0.00001876,0.03635839,0.01753209,0.00201984,0.0
 0018271,0.00063233,0.00016466,0.00004619,0.00005693,0.00000673,-0.0000
 2123,0.00032686,0.00011345,-0.02332819,-0.01046608,-0.00008178,0.00627
 008,-0.05611473,-0.01232804,-0.12931894,-0.24775431,-0.03331369,-0.022
 35969,0.70779556,0.00177169,0.00007034,0.00120566,-0.00055838,-0.00180
 481,0.00559451,0.00031146,-0.00033079,-0.00001903,-0.00013741,-0.00007
 224,-0.00015096,-0.00036613,-0.00021611,0.00001343,0.00740618,-0.00000
 286,0.00541045,-0.00011528,0.00007848,-0.00001349,-0.00009670,0.000180
 82,0.00007175,0.00000326,-0.00022402,-0.00003056,-0.00280059,-0.000101
 35,-0.00659680,-0.00047307,-0.01082005,0.00411062,-0.02112611,-0.03505
 662,-0.06435038,-0.02046098,0.11257344,0.15056042,0.00011111,0.0009413
 7,0.00107308,-0.01397626,0.03092035,0.00669778,0.00076058,0.00002816,0
 .00020959,-0.00580211,0.00116465,0.00039710,-0.00054558,0.00145631,-0.
 00014769,-0.15295089,0.03080224,0.00752511,-0.00077143,0.00029099,0.00
 028688,-0.00011862,-0.00000331,0.00010345,0.00022704,-0.00002187,0.000
 02338,0.06026624,0.00547067,-0.00099764,-0.04264918,0.03210235,0.00728
 272,-0.04330782,-0.06591605,-0.01120481,-0.32918630,0.05939983,0.01967
 300,0.69600685,-0.00222305,-0.00075558,-0.00209438,0.01147687,0.000734
 54,0.00091266,0.00065221,0.00077966,-0.00047179,-0.00136431,0.00087099
 ,-0.00006940,0.00009714,0.00056839,0.00086731,0.08861670,-0.27700705,-
 0.04263800,-0.00057052,-0.00069908,-0.00027740,-0.00010587,-0.00009487
 ,-0.00037395,-0.00038196,-0.00057735,0.00000165,-0.03840188,-0.0557844
 4,-0.01123016,0.03118777,-0.02523280,-0.00463760,-0.01924074,0.0449786
 4,0.00796305,-0.00479127,-0.12904287,-0.01359273,0.03918143,0.67459098
 ,-0.00104274,-0.00030466,0.00100459,0.00195317,-0.00006068,0.00090230,
 0.00041541,0.00022950,0.00009348,0.00034292,-0.00028542,0.00099601,0.0
 0069166,-0.00026104,0.00019730,0.02041514,-0.03992476,-0.07484831,0.00
 014925,-0.00051221,-0.00044423,0.00010429,0.00008143,0.00024852,-0.000
 12586,-0.00037031,0.00019761,-0.01001451,-0.01301579,0.00818737,0.0075
 5050,-0.00519486,-0.00782565,-0.00197708,0.01007469,0.00762323,0.00739
 646,-0.01553464,-0.06151851,-0.01127686,0.09994755,0.15159368,-0.00001
 835,0.00013889,0.00023030,0.00120419,-0.00199159,-0.00083514,0.0000155
 7,0.00001216,0.00001336,-0.00018970,0.00026379,0.00026348,0.00005362,0
 .00015929,0.00004492,0.00945502,-0.01719071,-0.00334421,0.00005492,0.0
 0006155,-0.00004517,0.00000893,0.00000389,-0.00002721,0.00000042,0.000
 01329,-0.00001945,-0.09630237,0.09217183,0.01925117,-0.00715763,0.0302
 2813,0.00585727,-0.00565334,-0.00041230,0.00028360,-0.00094582,-0.0005
 9578,-0.00012488,-0.00189937,-0.00331202,-0.00042484,0.10036081,-0.000
 27958,0.00036681,0.00000268,0.00261507,-0.00019290,0.00045630,0.000222
 23,-0.00000416,0.00011815,-0.00115738,0.00086729,0.00035893,-0.0003213
 3,0.00040285,0.00020636,0.01047278,-0.01969881,-0.00477019,0.00015008,
 0.00021486,-0.00003203,0.00000157,-0.00003636,-0.00001530,-0.00007873,
 -0.00006003,0.00005395,0.09163546,-0.28459172,-0.04944768,-0.00024553,
 -0.00021323,-0.00044340,0.00052919,0.00216615,-0.00102254,-0.00074505,
 0.00036608,0.00019989,-0.00416027,-0.00204514,-0.00141400,-0.09963893,
 0.30299782,-0.00092884,0.00016893,-0.00089364,0.00059430,0.00121475,-0
 .00318823,-0.00002299,-0.00000630,0.00004947,-0.00013890,-0.00013504,0
 .00012486,0.00043964,0.00006881,0.00032458,0.00243816,-0.00434414,0.00
 296142,0.00006146,0.00006204,-0.00003079,-0.00002353,-0.00001662,-0.00
 002609,0.00006192,0.00012520,-0.00005240,0.01849521,-0.04939001,-0.045
 33045,0.00029536,-0.00135945,0.00187389,0.00051614,-0.00099607,0.00733
 694,-0.00012219,0.00019898,-0.00051322,-0.00066677,-0.00136177,0.00566
 129,-0.02104558,0.05509397,0.03584586,-0.00029695,0.00008369,-0.000312
 95,0.00004101,-0.00145694,0.00012948,0.00004948,0.00003539,0.00006409,
 0.00001523,0.00004886,0.00001636,-0.00038125,0.00020398,-0.00005762,-0
 .00517752,0.00225420,0.00060778,0.00001721,-0.00001989,-0.00001492,0.0
 0001020,-0.00000222,0.00001631,-0.00010317,-0.00009686,0.00007259,-0.0
 1460033,-0.02648953,-0.00473351,-0.16341006,-0.13155175,-0.02213399,0.
 01121945,0.01053283,0.00178957,0.00018523,0.00264738,0.00074239,-0.000
 56841,0.00103681,0.00020707,0.00107764,0.00038185,-0.00003391,0.170723
 89,-0.00008912,0.00000293,-0.00006153,0.00035815,0.00013123,0.00004050
 ,0.00001602,0.00000458,0.00002481,-0.00001465,-0.00000583,-0.00000288,
 0.00001891,-0.00000639,-0.00003950,0.00135991,0.00171612,-0.00115426,0
 .00000217,-0.00000115,0.00001181,0.00000324,-0.00000333,0.00000124,0.0
 0000466,0.00000213,-0.00000297,0.00404700,0.00677732,0.00081732,-0.131
 53885,-0.22561183,-0.03373162,-0.01998389,-0.01774060,-0.00331475,0.00
 353932,-0.00364255,-0.00228647,0.00098659,-0.00002478,0.00010388,-0.00
 040122,0.00064446,0.00085859,0.14242327,0.23783216,-0.00000262,-0.0001
 2083,-0.00000872,0.00000375,0.00020818,0.00011255,0.00001143,-0.000046
 22,-0.00001710,0.00001173,-0.00001679,-0.00003107,-0.00007077,-0.00001
 761,0.00001443,0.00075735,-0.00114956,0.00747658,0.00000947,0.00001130
 ,-0.00001760,0.00001413,0.00002276,-0.00001636,-0.00003276,-0.00000542
 ,0.00000597,0.00124788,0.00158728,0.00239664,-0.02220041,-0.03366204,-
 0.04121807,-0.00419733,-0.00422527,0.00138009,0.00094008,-0.00225516,0
 .00700455,0.00019799,0.00016959,-0.00072802,-0.00017803,0.00081187,-0.
 00356134,0.02382485,0.03779320,0.03180666,-0.00006655,0.00000533,-0.00
 008105,0.00004636,0.00002097,0.00005548,0.00004461,-0.00002123,0.00005
 429,-0.00000118,0.00000597,-0.00001039,-0.00004263,-0.00005599,-0.0000
 4119,0.00066032,-0.00027330,-0.00012939,0.00001958,0.00003852,0.000021
 64,0.00000769,0.00000428,0.00000244,-0.00002172,0.00002469,0.00001526,
 0.00135450,0.00230034,0.00063291,-0.00788716,-0.00062159,0.00012957,-0
 .33000810,0.03655169,0.01517078,-0.01526379,0.00511762,0.00143389,-0.0
 0021609,-0.00375306,-0.00051874,-0.00047687,-0.00013753,-0.00000010,0.
 00080559,0.00033166,-0.00005881,0.35097282,0.00007694,0.00008124,0.000
 07909,-0.00000104,-0.00001270,0.00014963,0.00003471,-0.00003790,0.0000
 3495,-0.00008566,0.00007373,0.00003042,-0.00002053,-0.00002386,-0.0000
 0425,-0.00023854,-0.00135237,-0.00004209,0.00002956,0.00006183,0.00000
 969,-0.00000200,0.00000690,0.00000242,-0.00000053,0.00002178,0.0000042
 0,0.00137677,-0.00467148,-0.00248013,0.02993309,0.00089047,-0.00097704
 ,0.03659195,-0.06388763,-0.00678588,-0.02548089,0.00769833,0.00186521,
 -0.00287977,-0.00318000,-0.00204699,0.00141511,-0.00012755,-0.00011520
 ,-0.00052810,0.00089670,0.00091336,-0.03958550,0.06260672,-0.00023815,
 -0.00003311,-0.00020856,0.00003893,0.00025868,-0.00092612,-0.00003520,
 0.00000875,0.00000821,-0.00001912,-0.00003397,-0.00000789,0.00002723,0
 .00005968,0.00006218,-0.00003637,-0.00009984,-0.00113705,0.00005429,0.
 00002197,-0.00000514,0.00000618,-0.00003916,-0.00001212,0.00000871,0.0
 0005913,0.00000945,0.00035071,-0.00253824,0.00740373,0.00619144,-0.000
 23088,0.00139208,0.01514182,-0.00675896,-0.03604801,-0.00450750,0.0011
 3810,0.00184100,-0.00030144,-0.00199676,0.00734888,0.00032898,-0.00004
 396,0.00015261,-0.00023139,0.00088381,-0.00349191,-0.01657882,0.008489
 76,0.02689688,-0.00016250,-0.00007745,-0.00021593,0.00038064,0.0015064
 9,0.00059775,0.00007233,0.00003177,0.00003284,-0.00048116,0.00011856,0
 .00001560,0.00004726,0.00007368,-0.00005124,-0.00577963,-0.00039909,0.
 00024481,-0.00000788,-0.00005344,-0.00000891,0.00000065,-0.00000437,0.
 00001490,-0.00003458,-0.00004141,0.00001707,-0.00106228,-0.00073118,-0
 .00010848,-0.00189829,-0.00335218,-0.00039687,0.01149551,-0.01901452,-
 0.00395415,-0.09684296,0.09189679,0.01952436,-0.00719631,0.03016425,0.
 00597436,0.00007840,0.00009304,-0.00001891,0.00035360,-0.00097982,-0.0
 0020200,0.00088430,0.00062225,0.00000388,0.09901154,0.00017733,-0.0000
 1905,0.00016414,-0.00042160,-0.00013924,-0.00019300,-0.00003626,-0.000
 02389,-0.00007527,0.00010250,-0.00000759,0.00003532,0.00003971,-0.0000
 2447,0.00002599,0.00053589,0.00223276,-0.00108796,-0.00001478,-0.00000
 149,0.00000255,-0.00000421,-0.00000743,0.00000064,0.00002897,0.0000120
 2,-0.00001408,-0.00074121,0.00044590,0.00027287,-0.00425040,-0.0017933
 9,-0.00165390,0.01156896,-0.01804020,-0.00415925,0.09196633,-0.2874720
 0,-0.05110283,-0.00028408,-0.00047836,-0.00043000,0.00008463,-0.000080
 62,0.00021189,0.00060342,-0.00093915,-0.00024744,-0.00024202,0.0008159
 8,0.00085790,-0.09950650,0.30478789,0.00003870,0.00003700,-0.00015239,
 -0.00021357,-0.00014700,0.00026985,-0.00007859,0.00003533,0.00004075,-
 0.00003474,0.00000512,-0.00012770,0.00011796,0.00006436,0.00003168,0.0
 0066904,-0.00124687,0.00756112,0.00001675,-0.00002291,-0.00001254,0.00
 000805,-0.00000562,-0.00001982,-0.00000069,-0.00000266,-0.00001074,-0.
 00007879,0.00031009,-0.00070573,-0.00065529,-0.00164284,0.00713628,0.0
 0192211,-0.00348873,0.00117077,0.01951133,-0.05093557,-0.04501961,0.00
 025648,-0.00117742,0.00156634,-0.00001187,0.00021486,-0.00117829,0.000
 10903,-0.00019111,0.00014889,-0.00017042,0.00084621,-0.00344974,-0.021
 24993,0.05652639,0.03640605,-0.00006475,-0.00010483,0.00023356,-0.0002
 1725,-0.00019119,-0.00045259,0.00007375,0.00007393,-0.00016496,0.00026
 075,-0.00017369,0.00009064,-0.00108070,0.00060866,0.00038416,0.0117548
 1,0.00788796,0.00129876,-0.00176327,0.00050307,0.00095098,0.00008604,-
 0.00017725,-0.00009572,0.00008181,0.00003708,-0.00019399,-0.00004830,0
 .00263406,0.00095754,-0.00051982,0.00093165,0.00012027,-0.00524304,0.0
 0225378,0.00097657,-0.01524660,-0.02700326,-0.00460669,-0.15818346,-0.
 12826852,-0.01981958,0.00033394,0.00066304,0.00009955,0.00003917,-0.00
 008337,-0.00007592,-0.00081168,-0.00125782,-0.00020416,0.00114138,0.00
 039329,-0.00015555,0.16940723,0.00080034,0.00035874,0.00056898,-0.0023
 8937,0.00004792,0.00038999,0.00024598,-0.00064306,0.00047880,0.0000582
 5,0.00014086,0.00000361,-0.00032958,-0.00036833,-0.00023397,-0.0190803
 2,-0.01864335,-0.00336715,0.00028682,0.00110739,0.00021470,0.00001534,
 0.00002125,0.00011037,0.00000002,0.00049053,0.00012427,0.00359493,-0.0
 0375398,-0.00198884,0.00094361,-0.00005738,0.00006424,0.00123757,0.001
 70752,-0.00105118,0.00399672,0.00648169,0.00064269,-0.12947957,-0.2276
 0087,-0.03108170,-0.00101000,-0.00097581,-0.00027855,-0.00010640,-0.00
 003200,0.00022882,0.00028915,0.00013980,-0.00000290,-0.00034689,0.0007
 3233,0.00082136,0.14127340,0.24084676,-0.00070987,-0.00008991,-0.00085
 607,0.00009429,0.00061676,-0.00276190,-0.00044610,0.00029873,-0.000115
 95,0.00014643,0.00010821,-0.00011495,0.00014862,-0.00017656,-0.0001429
 7,-0.00399967,-0.00449302,0.00284925,0.00095052,0.00009567,0.00021231,
 0.00009536,-0.00018039,-0.00019750,-0.00009790,0.00038946,0.00008301,0
 .00086236,-0.00219732,0.00584307,0.00035434,-0.00000672,-0.00049760,0.
 00055617,-0.00099482,0.00744871,0.00094414,0.00139914,0.00240019,-0.01
 913137,-0.02994046,-0.04025588,-0.00021669,-0.00032787,0.00044353,-0.0
 0006122,0.00024992,-0.00125616,0.00007265,0.00002667,0.00017153,-0.000
 21917,0.00086604,-0.00365519,0.02065712,0.03435647,0.03040258\\0.00001
 061,0.00000389,0.00001547,-0.00001199,0.00001640,-0.00001374,-0.000000
 55,-0.00000484,-0.00000465,0.00000138,-0.00000107,0.00000040,-0.000001
 74,-0.00001471,0.00000092,0.00000653,-0.00000477,0.00000710,-0.0000036
 5,0.00000353,0.00000510,0.00000017,0.00000222,0.00000085,0.00000207,0.
 00000250,-0.00000163,0.00000139,-0.00000762,-0.00000698,-0.00000548,-0
 .00000104,-0.00000168,-0.00000231,-0.00000101,-0.00000027,0.00000075,0
 .00000218,-0.00000131,-0.00000102,0.00000501,-0.00000334,-0.00000105,-
 0.00000021,0.00000337,0.00000135,-0.00000180,-0.00000054,-0.00000004,0
 .00000169,0.00000004,-0.00000205,0.00000014,0.00000017,0.00000562,-0.0
 0000049,0.00000073\\\@


 A FOOL CAN ASK MORE QUESTIONS THAN
 A WISE MAN CAN ANSWER.
 Job cpu time:       0 days  1 hours 57 minutes 11.0 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 41.7 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:56:32 2021.
